3-Pyrrolidinamine, 1-benzoyl-N-ethyl-4-(methylthio)-, trans-
Basic information
- CAS
128758-06-5- Standard SMILES
CCN[C@H]1CN(C(=O)c2ccccc2)C[C@@H]1SC- InChIKey
YUOJGKYIRSHGMF-STQMWFEESA-N- Molecular formula
- C14H20N2OS
- Average molar mass
- 264.39 g/mol
- Monoisotopic mass
- 264.12963444
Names & identifiers
- Preferred name
- 3-Pyrrolidinamine, 1-benzoyl-N-ethyl-4-(methylthio)-, trans-
- IUPAC
- [(3S,4S)-3-(ethylamino)-4-methylsulfanylpyrrolidin-1-yl]-phenylmethanone
Names & synonyms
SCHEMBL6217763DTXSID3011863513-Pyrrolidinamine, 1-benzoyl-N-ethyl-4-(methylthio)-, trans-128758-06-5[(3S,4S)-3-(Ethylamino)-4-(methylsulfanyl)pyrrolidin-1-yl](phenyl)methanone
Database identifiers
- CAS
128758-06-5- PubChem CID
- 54528129
- DTXSID
DTXSID301186351
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
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Compound notes
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