Basic information
- Standard SMILES
COC(=O)C(c1ccccc1Cl)N1CC(=O)CC(S)C1- InChIKey
IPKCVCFNQSAMKN-UHFFFAOYSA-N- Molecular formula
- C14H16ClNO3S
- Average molar mass
- 313.8 g/mol
Names & identifiers
- Preferred name
- (2-Chlorophenyl)-(3-mercapto-5-oxopiperidin-1-yl)-acetic acid methyl ester
- IUPAC
- methyl 2-(2-chlorophenyl)-2-(3-oxo-5-sulfanylpiperidin-1-yl)acetate
Names & synonyms
SCHEMBL2720520IPKCVCFNQSAMKN-UHFFFAOYSA-N(2-chlorophenyl)-(3-mercapto-5-oxopiperidin-1-yl)-acetic acid methyl ester
Database identifiers
- PubChem CID
- 86665672
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 379
Related reactions
2 records
Compound notes
Loading…