9-(((2S)-4-((5-nitro-2-thiophenyl)sulfonyl)-2-piperazinyl)methyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
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Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN[C@@H](CN3C4COCC3CC(O)C4)C2)s1- InChIKey
IZHUBVFSWCEJTR-NTXGFPLRSA-N- Molecular formula
- C16H24N4O6S2
- Average molar mass
- 432.5 g/mol
Names & identifiers
- Preferred name
- 9-(((2S)-4-((5-nitro-2-thiophenyl)sulfonyl)-2-piperazinyl)methyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
- IUPAC
- 9-[[(2S)-4-(5-nitrothiophen-2-yl)sulfonylpiperazin-2-yl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
Names & synonyms
SCHEMBL12079931IZHUBVFSWCEJTR-NTXGFPLRSA-N9-(((2S)-4-((5-nitro-2-thiophenyl)sulfonyl)-2-piperazinyl)methyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
Database identifiers
- PubChem CID
- 70656237
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 670
Related reactions
2 records
Compound notes
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