Basic information
- Standard SMILES
CS(=O)(=O)N1CCC2OC2CC1- InChIKey
FLFFGRLYKLOBNK-UHFFFAOYSA-N- Molecular formula
- C7H13NO3S
- Average molar mass
- 191.25 g/mol
Names & identifiers
- Preferred name
- 1-methanesulphonyl-hexahydro-4,5-epoxy-1H-azepine
- IUPAC
- 4-methylsulfonyl-8-oxa-4-azabicyclo[5.1.0]octane
Names & synonyms
SCHEMBL11246196FLFFGRLYKLOBNK-UHFFFAOYSA-N1-methanesulphonyl-hexahydro-4,5-epoxy-1H-azepine4-(METHYLSULFONYL)-8-OXA-4-AZABICYCLO[5.1.0]OCTANE
Database identifiers
- PubChem CID
- 20548908
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 257
Related reactions
6 records
Compound notes
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