Methyl (8-benzenesulphonyl-3,8-diazabicyclo[3.2.1]oct-3-yl)acetate
Basic information
- CAS
347196-16-1- Standard SMILES
COC(=O)CN1CC2CCC(C1)N2S(=O)(=O)c1ccccc1- InChIKey
WIPHQHZACRBMQV-UHFFFAOYSA-N- Molecular formula
- C15H20N2O4S
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.1143783
Names & identifiers
- Preferred name
- Methyl (8-benzenesulphonyl-3,8-diazabicyclo[3.2.1]oct-3-yl)acetate
- IUPAC
- methyl 2-[8-(benzenesulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]acetate
Names & synonyms
WIPHQHZACRBMQV-UHFFFAOYSA-NDTXSID701169731Methyl 8-(phenylsulfonyl)-3,8-diazabicyclo[3.2.1]octane-3-acetateMethyl (8-benzenesulphonyl-3,8-diazabicyclo[3.2.1]oct-3-yl)acetateMethyl [8-(benzenesulfonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]acetate347196-16-1
Database identifiers
- CAS
347196-16-1- PubChem CID
- 86602001
- DTXSID
DTXSID701169731
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 496
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Related reactions
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Compound notes
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