Basic information
- Standard SMILES
COc1cccc(CS[C@H]2C[C@@H](C(N)=O)N(C)C2)c1- InChIKey
NOIJWLASIYMEST-STQMWFEESA-N- Molecular formula
- C14H20N2O2S
- Average molar mass
- 280.39 g/mol
Names & identifiers
- Preferred name
- (2S, 4S)-2-Carbamoyl-4-(3-methoxybenzylthio)-1-methylpyrrolidine
- IUPAC
- (2S,4S)-4-[(3-methoxyphenyl)methylsulfanyl]-1-methylpyrrolidine-2-carboxamide
Names & synonyms
NOIJWLASIYMEST-STQMWFEESA-N(2S, 4S)-2-Carbamoyl-4-(3-methoxybenzylthio)-1-methylpyrrolidine
Database identifiers
- PubChem CID
- 56983387
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Related reactions
1 records
Compound notes
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