3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide

C5H8N2O3S — CID 142566287

IUPAC3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide
SMILESCC1=NOCC(C(N)=O)S1=O
InChIInChI=1S/C5H8N2O3S/c1-3-7-10-2-4(5(6)8)11(3)9/h4H,2H2,1H3,(H2,6,8)
InChIKeyUTYIMJGMFMLUIQ-UHFFFAOYSA-N
MW176.20 g/mol
LogP-1.05
Rot. Bonds1

About 3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide

3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide (PubChem CID 142566287) has the molecular formula C5H8N2O3S and a molecular weight of 176.20 g/mol. Its IUPAC name is 3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide
PubChem CID142566287
Molecular FormulaC5H8N2O3S
Molecular Weight176.20 g/mol
Exact Mass176.03
IUPAC Name3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide
SMILESCC1=NOCC(C(N)=O)S1=O
InChIInChI=1S/C5H8N2O3S/c1-3-7-10-2-4(5(6)8)11(3)9/h4H,2H2,1H3,(H2,6,8)
InChIKeyUTYIMJGMFMLUIQ-UHFFFAOYSA-N
XLogP-1.05
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide?
The IUPAC name of 3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide (CID 142566287) is 3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide is CC1=NOCC(C(N)=O)S1=O.
What is the InChIKey of 3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide?
The InChIKey is UTYIMJGMFMLUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S/c1-3-7-10-2-4(5(6)8)11(3)9/h4H,2H2,1H3,(H2,6,8).
What are the key properties of 3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide?
3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide has a molecular weight of 176.20 g/mol, XLogP of -1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-5,6-dihydro-1,4,2-oxathiazine-5-carboxamide is sourced from PubChem (CID 142566287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).