Basic information
- Standard SMILES
COc1ccc(CS[C@H]2CCN(C)C2)cc1- InChIKey
NJPRORMTTBUZJN-ZDUSSCGKSA-N- Molecular formula
- C13H19NOS
- Average molar mass
- 237.36 g/mol
Names & identifiers
- Preferred name
- (3S)-3-(4-Methoxybenzylthio)-1-methylpyrrolidine
- IUPAC
- (3S)-3-[(4-methoxyphenyl)methylsulfanyl]-1-methylpyrrolidine
Names & synonyms
SCHEMBL9414462NJPRORMTTBUZJN-ZDUSSCGKSA-N(3S)-3-(4-Methoxybenzylthio)-1-methylpyrrolidine
Database identifiers
- PubChem CID
- 57243155
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 204
Related reactions
3 records
Compound notes
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