4-methyl-6H-1,3,5-oxathiazine

C4H7NOS — CID 142045255

IUPAC4-methyl-6H-1,3,5-oxathiazine
SMILESCC1=NCOCS1
InChIInChI=1S/C4H7NOS/c1-4-5-2-6-3-7-4/h2-3H2,1H3
InChIKeyCTNNFOZGEGEOSY-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.08
Rot. Bonds

About 4-methyl-6H-1,3,5-oxathiazine

4-methyl-6H-1,3,5-oxathiazine (PubChem CID 142045255) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is 4-methyl-6H-1,3,5-oxathiazine.

Molecular Properties

Compound Name4-methyl-6H-1,3,5-oxathiazine
PubChem CID142045255
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name4-methyl-6H-1,3,5-oxathiazine
SMILESCC1=NCOCS1
InChIInChI=1S/C4H7NOS/c1-4-5-2-6-3-7-4/h2-3H2,1H3
InChIKeyCTNNFOZGEGEOSY-UHFFFAOYSA-N
XLogP1.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6H-1,3,5-oxathiazine?
The IUPAC name of 4-methyl-6H-1,3,5-oxathiazine (CID 142045255) is 4-methyl-6H-1,3,5-oxathiazine.
What is the SMILES notation for 4-methyl-6H-1,3,5-oxathiazine?
The canonical SMILES for 4-methyl-6H-1,3,5-oxathiazine is CC1=NCOCS1.
What is the InChIKey of 4-methyl-6H-1,3,5-oxathiazine?
The InChIKey is CTNNFOZGEGEOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS/c1-4-5-2-6-3-7-4/h2-3H2,1H3.
What are the key properties of 4-methyl-6H-1,3,5-oxathiazine?
4-methyl-6H-1,3,5-oxathiazine has a molecular weight of 117.17 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6H-1,3,5-oxathiazine is sourced from PubChem (CID 142045255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).