2,2-dihydroxy-6-methyloxathiazin-4-one

C4H7NO4S — CID 144944570

IUPAC2,2-dihydroxy-6-methyloxathiazin-4-one
SMILESCC1=CC(=O)NS(O)(O)O1
InChIInChI=1S/C4H7NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2,7-8H,1H3,(H,5,6)
InChIKeyUJGHGPALSQHVKD-UHFFFAOYSA-N
MW165.17 g/mol
LogP0.62
Rot. Bonds

About 2,2-dihydroxy-6-methyloxathiazin-4-one

2,2-dihydroxy-6-methyloxathiazin-4-one (PubChem CID 144944570) has the molecular formula C4H7NO4S and a molecular weight of 165.17 g/mol. Its IUPAC name is 2,2-dihydroxy-6-methyloxathiazin-4-one.

Molecular Properties

Compound Name2,2-dihydroxy-6-methyloxathiazin-4-one
PubChem CID144944570
Molecular FormulaC4H7NO4S
Molecular Weight165.17 g/mol
Exact Mass165.01
IUPAC Name2,2-dihydroxy-6-methyloxathiazin-4-one
SMILESCC1=CC(=O)NS(O)(O)O1
InChIInChI=1S/C4H7NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2,7-8H,1H3,(H,5,6)
InChIKeyUJGHGPALSQHVKD-UHFFFAOYSA-N
XLogP0.62
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxy-6-methyloxathiazin-4-one?
The IUPAC name of 2,2-dihydroxy-6-methyloxathiazin-4-one (CID 144944570) is 2,2-dihydroxy-6-methyloxathiazin-4-one.
What is the SMILES notation for 2,2-dihydroxy-6-methyloxathiazin-4-one?
The canonical SMILES for 2,2-dihydroxy-6-methyloxathiazin-4-one is CC1=CC(=O)NS(O)(O)O1.
What is the InChIKey of 2,2-dihydroxy-6-methyloxathiazin-4-one?
The InChIKey is UJGHGPALSQHVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2,7-8H,1H3,(H,5,6).
What are the key properties of 2,2-dihydroxy-6-methyloxathiazin-4-one?
2,2-dihydroxy-6-methyloxathiazin-4-one has a molecular weight of 165.17 g/mol, XLogP of 0.62, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxy-6-methyloxathiazin-4-one is sourced from PubChem (CID 144944570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).