Basic information
- Standard SMILES
COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1- InChIKey
VPZYZFCZKZOOKA-NSHDSACASA-N- Molecular formula
- C12H15NO4S
- Average molar mass
- 269.32 g/mol
Names & identifiers
- Preferred name
- N-(benzenesulfonyl)-Proline methyl ester
- IUPAC
- methyl (2S)-1-(benzenesulfonyl)pyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL695760VPZYZFCZKZOOKA-NSHDSACASA-NN-(benzenesulfonyl)-Proline methyl ester
Database identifiers
- PubChem CID
- 720698
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 395
Related reactions
5 records
Compound notes
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