2-hydroxy-2-methoxy-6-methyloxathiazin-4-one

C5H9NO4S — CID 145106295

IUPAC2-hydroxy-2-methoxy-6-methyloxathiazin-4-one
SMILESCOS1(O)NC(=O)C=C(C)O1
InChIInChI=1S/C5H9NO4S/c1-4-3-5(7)6-11(8,9-2)10-4/h3,8H,1-2H3,(H,6,7)
InChIKeyOFVDSCFEPCNQTR-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.71
Rot. Bonds1

About 2-hydroxy-2-methoxy-6-methyloxathiazin-4-one

2-hydroxy-2-methoxy-6-methyloxathiazin-4-one (PubChem CID 145106295) has the molecular formula C5H9NO4S and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-hydroxy-2-methoxy-6-methyloxathiazin-4-one.

Molecular Properties

Compound Name2-hydroxy-2-methoxy-6-methyloxathiazin-4-one
PubChem CID145106295
Molecular FormulaC5H9NO4S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Name2-hydroxy-2-methoxy-6-methyloxathiazin-4-one
SMILESCOS1(O)NC(=O)C=C(C)O1
InChIInChI=1S/C5H9NO4S/c1-4-3-5(7)6-11(8,9-2)10-4/h3,8H,1-2H3,(H,6,7)
InChIKeyOFVDSCFEPCNQTR-UHFFFAOYSA-N
XLogP0.71
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methoxy-6-methyloxathiazin-4-one?
The IUPAC name of 2-hydroxy-2-methoxy-6-methyloxathiazin-4-one (CID 145106295) is 2-hydroxy-2-methoxy-6-methyloxathiazin-4-one.
What is the SMILES notation for 2-hydroxy-2-methoxy-6-methyloxathiazin-4-one?
The canonical SMILES for 2-hydroxy-2-methoxy-6-methyloxathiazin-4-one is COS1(O)NC(=O)C=C(C)O1.
What is the InChIKey of 2-hydroxy-2-methoxy-6-methyloxathiazin-4-one?
The InChIKey is OFVDSCFEPCNQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4S/c1-4-3-5(7)6-11(8,9-2)10-4/h3,8H,1-2H3,(H,6,7).
What are the key properties of 2-hydroxy-2-methoxy-6-methyloxathiazin-4-one?
2-hydroxy-2-methoxy-6-methyloxathiazin-4-one has a molecular weight of 179.20 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methoxy-6-methyloxathiazin-4-one is sourced from PubChem (CID 145106295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).