N-(1-oxidopyridin-1-ium-4-yl)sulfonyl-3-oxobutanamide
Basic information
- CAS
85153-50-0- Standard SMILES
CC(=O)CC(=O)NS(=O)(=O)c1cc[n+]([O-])cc1- InChIKey
YEQDNOSEODHTQM-UHFFFAOYSA-N- Molecular formula
- C9H10N2O5S
- Average molar mass
- 258.25 g/mol
- Monoisotopic mass
- 258.0310426
Names & identifiers
- Preferred name
- N-(1-oxidopyridin-1-ium-4-yl)sulfonyl-3-oxobutanamide
- IUPAC
- N-(1-oxidopyridin-1-ium-4-yl)sulfonyl-3-oxobutanamide
Database identifiers
- CAS
85153-50-0- PubChem CID
- 102438403
- Nikkaji
- J309.838I
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 392
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Compound notes
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