Basic information
- Standard SMILES
CCNC(=O)[C@@H]1C[C@H](SCc2ccc(OC)cc2)CN1- InChIKey
BABQDUNFJKQANI-KBPBESRZSA-N- Molecular formula
- C15H22N2O2S
- Average molar mass
- 294.4 g/mol
Names & identifiers
- Preferred name
- (2S, 4S)-2-Ethylcarbamoyl-4-(4-methoxybenzylthio)pyrrolidine
- IUPAC
- (2S,4S)-N-ethyl-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxamide
Names & synonyms
BABQDUNFJKQANI-KBPBESRZSA-N(2S, 4S)-2-ethylcarbamoyl-4-(4-methoxybenzylthio)-pyrrolidine(2S, 4S)-2-Ethylcarbamoyl-4-(4-methoxybenzylthio)pyrrolidine
Database identifiers
- PubChem CID
- 14880286
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 306
Related reactions
6 records
Compound notes
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