Basic information
- Standard SMILES
CC[C@@H](C(N)=O)N1CC(CN2CCSCC2)CC1=O- InChIKey
KTCOHUGENNTVRX-DTIOYNMSSA-N- Molecular formula
- C13H23N3O2S
- Average molar mass
- 285.41 g/mol
Names & identifiers
- Preferred name
- (2S)-2-[2-oxo-4-(4-thiomorpholinylmethyl)-1-pyrrolidinyl]butanamide
- IUPAC
- (2S)-2-[2-oxo-4-(thiomorpholin-4-ylmethyl)pyrrolidin-1-yl]butanamide
Names & synonyms
SCHEMBL563446KTCOHUGENNTVRX-DTIOYNMSSA-N(2S)-2-[2-oxo-4-(4-thiomorpholinylmethyl)-1-pyrrolidinyl]butanamide
Database identifiers
- PubChem CID
- 66725879
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Related reactions
5 records
Compound notes
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