2-(Piperidine-1-sulfonyl)ethan-1-amine
Basic information
- CAS
31644-46-9- Standard SMILES
NCCS(=O)(=O)N1CCCCC1- InChIKey
WLOGRANXQCUIPF-UHFFFAOYSA-N- Molecular formula
- C7H16N2O2S
- Average molar mass
- 192.28 g/mol
- Monoisotopic mass
- 192.09324893
Names & identifiers
- Preferred name
- 2-(Piperidine-1-sulfonyl)ethan-1-amine
- IUPAC
- 2-piperidin-1-ylsulfonylethanamine
- English name
- [2-(Piperidin-1-ylsulfonyl)ethyl]amine
- Molecular formula
- C7H16N2O2S
- Molecular weight
- 192.28
Names & synonyms
31644-46-92-(piperidine-1-sulfonyl)ethan-1-amineDTXSID60953609RefChem:1062025DTXCID001381655Aminoethanesulfonylpiperidine2-piperidin-1-ylsulfonylethanamine2-(piperidin-1-ylsulfonyl)ethanamineTaurinopiperidine2-(Piperidin-1-ylsulfonyl)ethan-1-amine2-(Piperidine-1-sulfonyl)-ethylamine1-(piperidylsulfonyl)eth-2-ylamine
Show more names
TIMTEC-BB SBB010876n-(2-aminoethylsulfonyl)-piperidin1-[(2-Aminoethyl)sulfonyl]piperidineEthanamine, 2-(1-piperidinylsulfonyl)-
BRN 1240173Piperidine, N-(2-aminoethylsulfonyl)-taurylpiperidine[2-(PIPERIDIN-1-YLSULFONYL)ETHYL]AMINEMFCD01701507Ethanamine,2-(1-piperidinylsulfonyl)-SCHEMBL224821742-(1-piperidylsulfonyl)ethanamine
Database identifiers
- CAS
31644-46-9- PubChem CID
- 208100
- DTXSID
DTXSID60953609- Nikkaji
- J53.860D
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 324.4 · 324.4±44.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 8.45 · 8.45±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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