Basic information
- Standard SMILES
Cc1cc(C(=O)O)ccc1N1C(C)CCNS1(=O)=O- InChIKey
PVKNKHDZZMTAQP-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4S
- Average molar mass
- 284.33 g/mol
Names & identifiers
- Preferred name
- 4-(1,1-Dioxo-3-methyl-[1,2,6]thiadiazinan-2-yl)-3-methyl-benzoic acid
- IUPAC
- 3-methyl-4-(3-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzoic acid
Names & synonyms
SCHEMBL1479480PVKNKHDZZMTAQP-UHFFFAOYSA-N4-(1,1-dioxo-3-methyl-[1,2,6]thiadiazinan-2-yl)-3-methyl-benzoic acid
Database identifiers
- PubChem CID
- 67048460
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 445
Related reactions
4 records
Compound notes
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