Basic information
- Standard SMILES
Cc1ccccc1S(=O)(=O)OC1CCN(Cc2ccccc2)C1- InChIKey
NTFXYWQMSDTJAG-UHFFFAOYSA-N- Molecular formula
- C18H21NO3S
- Average molar mass
- 331.4 g/mol
Names & identifiers
- Preferred name
- 1-Benzyl-3-toluenesulfonyloxypyrrolidine
- IUPAC
- (1-benzylpyrrolidin-3-yl) 2-methylbenzenesulfonate
Names & synonyms
SCHEMBL3996069NTFXYWQMSDTJAG-UHFFFAOYSA-N1-Benzyl-3-toluenesulfonyloxypyrrolidine
Database identifiers
- PubChem CID
- 86252147
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 467
Related reactions
2 records
Compound notes
Loading…