Basic information
- Standard SMILES
CCN1C[C@@H](SCc2ccc(OC)cc2)C[C@H]1C(N)=O- InChIKey
IWJUJPCJACTCCT-KBPBESRZSA-N- Molecular formula
- C15H22N2O2S
- Average molar mass
- 294.4 g/mol
Names & identifiers
- Preferred name
- (2S, 4S)-2-Carbamoyl-1-ethyl-4-(4-methoxybenzylthio)pyrrolidine
- IUPAC
- (2S,4S)-1-ethyl-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxamide
Names & synonyms
IWJUJPCJACTCCT-KBPBESRZSA-N(2S, 4S)-2-Carbamoyl-1-ethyl-4-(4-methoxybenzylthio)pyrrolidine(2S, 4S)-2-carbamoyl-4-(4-methoxybenzylthio)-1-ethylpyrrolidine
Database identifiers
- PubChem CID
- 14796650
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
Related reactions
4 records
Linked notes
Loading…