1-Methylcyclopropane-1-sulfonamide

HCID 21889814CAS 669008-26-8

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Grundinformationen

Standard-SMILES: CC1(S(N)(=O)=O)CC1
InChIKey: ATJVVVCODTXRAE-UHFFFAOYSA-N
Summenformel: C4H9NO2S
Durchschnittliche Molmasse: 135,19 g/mol
Monoisotopische Masse: 135,03539953

Namen und Bezeichner

Bevorzugter Name: 1-Methylcyclopropane-1-sulfonamide
IUPAC: 1-methylcyclopropane-1-sulfonamide
Englischer Name: 1-Methyl-cyclopropanesulfonic acid amide
Summenformel: C4H9NO2S
Molmasse: 135.18

Namen und Synonyme

1-methylcyclopropane-1-sulfonamide1-MethylcyclopropanesulfonamideCyclopropanesulfonamide, 1-methyl-Glecaprevir metabolite M8R36SPL699QDTXSID10619521RefChem:76380DTXCID20570275812-573-1669008-26-81-Methyl-cyclopropanesulfonic acid amideMFCD11501466

Weitere Namen anzeigen

EOS-60413MethylcyclopropylsulfonaMideMETHYL CYCLOPROPANE SULFONAMIDE1-Methylcyclopropanesulphonamide1-methylcyclopropanesulfonylamide1-methyl-1-cyclopropanesulfonamide

Cyclopropanesulfonamide, 1-methyl- (9CI)1-METHYL-CYCLOPROPYL SULFONAMIDEUNII-R36SPL699QSCHEMBL509651-methylcyclopropylsulfonamidemethylcyclopropane sulphonamide1-methyl-cyclopropylsulfonamidemethylcyclopropanesulfonic amide

Datenbank-Bezeichner

CAS: 669008-26-8
PubChem CID: 21889814
DTXSID: DTXSID10619521
UNII: R36SPL699Q
EC Number: 812-573-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 68,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 185

Physikochemische Eigenschaften

Schmelzpunkt: 103 · 103-104 °C(Solv: hexane (110-54-3))
Siedepunkt: 246.4 · 246.4±23.0 °C(Predicted)
Dichte: 1.34 · 1.34±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 10.93 · 10.93±0.20(Predicted)
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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-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.