Basic information
- Standard SMILES
CN1C2CSCC1CC(=O)C2- InChIKey
NYRXKNVUTSUPFL-UHFFFAOYSA-N- Molecular formula
- C8H13NOS
- Average molar mass
- 171.26 g/mol
Names & identifiers
- Preferred name
- 9-Methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-one
- IUPAC
- 9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-one
Names & synonyms
9-Methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-one9-Methyl-3-thia-9-aza-bicyclo[3.3.1]nonan-7-oneNSC13532399709-31-6SCHEMBL2220761NSC-135323DB-1976383-Thia-9-azabicyclo[3.3.1]nonan-7-one, 9-methyl-9-Methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-one #
Database identifiers
- PubChem CID
- 282148
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Related reactions
2 records
Compound notes
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