Basic information
- Standard SMILES
COC(=O)C1CC(SC(C)=O)CN1C- InChIKey
YMJLWAAACMLIIL-UHFFFAOYSA-N- Molecular formula
- C9H15NO3S
- Average molar mass
- 217.29 g/mol
Names & identifiers
- Preferred name
- Methyl 4-acetylsulfanyl-1-methylpyrrolidine-2-carboxylate
- IUPAC
- methyl 4-acetylsulfanyl-1-methylpyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL5052470
Database identifiers
- PubChem CID
- 19907159
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Related reactions
1 records
Compound notes
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