2-[(3RS)-3-carbamoylpiperidin-1-yl]-2-iminoethylmercaptan hydrochloride
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Basic information
- Standard SMILES
Cl.N=C(CS)N1CCCC(C(N)=O)C1- InChIKey
BRPSJQUZOUCAQG-UHFFFAOYSA-N- Molecular formula
- C8H16ClN3OS
- Average molar mass
- 237.75 g/mol
- Monoisotopic mass
- 237.070261
Names & identifiers
- Preferred name
- 2-[(3RS)-3-carbamoylpiperidin-1-yl]-2-iminoethylmercaptan hydrochloride
- IUPAC
- 1-(2-sulfanylethanimidoyl)piperidine-3-carboxamide;hydrochloride
Names & synonyms
SCHEMBL9833984BRPSJQUZOUCAQG-UHFFFAOYSA-N2-[(3RS)-3-carbamoylpiperidin-1-yl]-2-iminoethylmercaptan hydrochloride
Database identifiers
- PubChem CID
- 21292985
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Related reactions
1 records
Compound notes
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