7-(n-Butyl)-3-[(4-cyanophenyl)sulfonyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane hydrochloride
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Basic information
- Standard SMILES
CCCCN1CC2CN(S(=O)(=O)c3ccc(C#N)cc3)CC(C1)C2(C)C.Cl- InChIKey
NOPPOAZPHMPJLJ-UHFFFAOYSA-N- Molecular formula
- C20H30ClN3O2S
- Average molar mass
- 412 g/mol
- Monoisotopic mass
- 411.1747261
Names & identifiers
- Preferred name
- 7-(n-Butyl)-3-[(4-cyanophenyl)sulfonyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane hydrochloride
- IUPAC
- 4-[(7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)sulfonyl]benzonitrile;hydrochloride
Names & synonyms
SCHEMBL8306472NOPPOAZPHMPJLJ-UHFFFAOYSA-N7-(n-butyl)-3-[(4-cyanophenyl)sulfonyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane hydrochloride
Database identifiers
- PubChem CID
- 9844532
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 620
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Related reactions
2 records
Compound notes
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