Basic information
- CAS
331256-12-3- Standard SMILES
CC1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
LCTNFWXTMUHRBV-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4S
- Average molar mass
- 284.33 g/mol
- Monoisotopic mass
- 284.08307817
Names & identifiers
- Preferred name
- 2-Methyl-1-(2-nitro-benzenesulfonyl)-piperidine
- IUPAC
- 2-methyl-1-(2-nitrophenyl)sulfonylpiperidine
Names & synonyms
331256-12-3Piperidine, 2-methyl-1-[(2-nitrophenyl)sulfonyl]-2-Methyl-1-(2-nitro-benzenesulfonyl)-piperidineCBMicro_048135Oprea1_462622Oprea1_606436MLS000553889CHEMBL2143832DTXSID101232138HMS2529F14AKOS000668835AKOS017085298
Show more names
SMR000171375ST060859BIM-0048043.P0011-[(2-methylpiperidyl)sulfonyl]-2-nitrobenzene2-Methyl-1-(2-nitrobenzene-1-sulfonyl)piperidine
Database identifiers
- CAS
331256-12-3- PubChem CID
- 2836770
- DTXSID
DTXSID101232138- ChEMBL
CHEMBL2143832
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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