7-Methanesulfonyloxy-2,3,4,5-tetrahydro-1H-3-benzazepine
Basic information
- Standard SMILES
CS(=O)(=O)Oc1ccc2c(c1)CCNCC2- InChIKey
CZDYVNNSJARDTC-UHFFFAOYSA-N- Molecular formula
- C11H15NO3S
- Average molar mass
- 241.31 g/mol
- Monoisotopic mass
- 241.07726451
Names & identifiers
- Preferred name
- 7-Methanesulfonyloxy-2,3,4,5-tetrahydro-1H-3-benzazepine
- IUPAC
- 2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl methanesulfonate
Names & synonyms
SCHEMBL4033082CZDYVNNSJARDTC-UHFFFAOYSA-N7-Methanesulfonyloxy-2,3,4,5-tetrahydro-1H-3-benzazepine7-Methanesulphonyloxy-2,3,4,5-tetrahydro-1H-3-benzazepine
Database identifiers
- PubChem CID
- 11299472
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 323
Related reactions
5 records
Compound notes
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