Basic information
- Standard SMILES
CC(C)(C)S(=O)NCc1ccc2cccnc2c1[N+](=O)[O-]- InChIKey
XGXIWCJBAVVFCY-UHFFFAOYSA-N- Molecular formula
- C14H17N3O3S
- Average molar mass
- 307.37 g/mol
- Monoisotopic mass
- 307.09906259
Names & identifiers
- Preferred name
- 2-Methyl-propane-2-sulfinic acid (8-nitro-quinolin-7-ylmethyl)-amide
- IUPAC
- 2-methyl-N-[(8-nitroquinolin-7-yl)methyl]propane-2-sulfinamide
Names & synonyms
XGXIWCJBAVVFCY-UHFFFAOYSA-N2-methyl-propane-2-sulfinic acid (8-nitro-quinolin-7-ylmethyl)-amide
Database identifiers
- PubChem CID
- 86669765
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Related reactions
2 records
Compound notes
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