Basic information
- CAS
669008-26-8- Standard SMILES
CC1(S(N)(=O)=O)CC1- InChIKey
ATJVVVCODTXRAE-UHFFFAOYSA-N- Molecular formula
- C4H9NO2S
- Average molar mass
- 135.19 g/mol
- Monoisotopic mass
- 135.03539953
Names & identifiers
- Preferred name
- 1-Methylcyclopropane-1-sulfonamide
- IUPAC
- 1-methylcyclopropane-1-sulfonamide
- English name
- 1-Methyl-cyclopropanesulfonic acid amide
- Molecular formula
- C4H9NO2S
- Molecular weight
- 135.18
Names & synonyms
1-methylcyclopropane-1-sulfonamide1-MethylcyclopropanesulfonamideCyclopropanesulfonamide, 1-methyl-Glecaprevir metabolite M8R36SPL699QDTXSID10619521RefChem:76380DTXCID20570275812-573-1669008-26-81-Methyl-cyclopropanesulfonic acid amideMFCD11501466
Show more names
EOS-60413MethylcyclopropylsulfonaMideMETHYL CYCLOPROPANE SULFONAMIDE1-Methylcyclopropanesulphonamide1-methylcyclopropanesulfonylamide1-methyl-1-cyclopropanesulfonamide
Cyclopropanesulfonamide, 1-methyl- (9CI)1-METHYL-CYCLOPROPYL SULFONAMIDEUNII-R36SPL699QSCHEMBL509651-methylcyclopropylsulfonamidemethylcyclopropane sulphonamide1-methyl-cyclopropylsulfonamidemethylcyclopropanesulfonic amide
Database identifiers
- CAS
669008-26-8- PubChem CID
- 21889814
- DTXSID
DTXSID10619521- UNII
- R36SPL699Q
- EC Number
- 812-573-1
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 103 · 103-104 °C(Solv: hexane (110-54-3))
- Boiling point
- 246.4 · 246.4±23.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 10.93 · 10.93±0.20(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C4H9NO2S/c1-4(2-3-4)8(5,6)7/h2-3H2,1H3,(H2,5,6,7)
- InChIKey
- ATJVVVCODTXRAE-UHFFFAOYSA-N
- SMILES
- C1(C)(S(N)(=O)=O)CC1
- FDA UNII
- 36 SPL699Q · R36SPL699Q
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1-Methyl-cyclopropanesulfonic acid amide is a drug that inhibits the activity of serine protease. It has been shown to inhibit the replication of hepatitis C virus and HIV, while also inhibiting the enzymatic activity of human leukocyte elastase.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司
Related reactions
40 records
Compound notes
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