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Basic information
- Standard SMILES
N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1- InChIKey
OTVQVKGSDVHLLH-NUEKZKHPSA-N- Molecular formula
- C17H23FN2O3S
- Average molar mass
- 354.4 g/mol
Names & identifiers
- Preferred name
- [(3R,4S)-4-Amino-1,1-dioxo-tetrahydrothiophen-3-yl]-[(S)-3-(4-fluorobenzyl)-piperidin-1-yl]-methanone
- IUPAC
- [(3R,4S)-4-amino-1,1-dioxothiolan-3-yl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
Names & synonyms
SCHEMBL6356452OTVQVKGSDVHLLH-NUEKZKHPSA-N[(3R,4S)-4-Amino-1,1-dioxo-tetrahydrothiophen-3-yl]-[(S)-3-(4-fluorobenzyl)-piperidin-1-yl]-methanone
Database identifiers
- PubChem CID
- 69748830
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 555
Related reactions
6 records
Compound notes
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