Molecule ID: 36573

IUPAC Name: 6-methyl-2,2-dioxooxathiazin-4-one

Description: The molecule is a sulfamate ester that is 1,2,3-oxathiazin-4(3H)-one 2,2-dioxide substituted by a methyl group at position 6. It has a role as a xenobiotic, an environmental contaminant and a sweetening agent. It is a sulfamate ester, an organonitrogen heterocyclic compound, an oxacycle and an organic heteromonocyclic compound.

SMILES: CC1=CC(O)=NS(=O)(=O)O1

SELFIES: [C][C][=C][C][Branch1][C][O][=N][S][=Branch1][C][=O][=Branch1][C][=O][O][Ring1][=Branch2]

InChI: InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)

Molecular Properties:
- Polar Surface Area: 80.8 Ų
- LogP: -0.3