2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine

C11H13NOS — CID 14287769

IUPAC2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine
SMILESCC1N=C(c2ccccc2)SC(C)O1
InChIInChI=1S/C11H13NOS/c1-8-12-11(14-9(2)13-8)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeySMPXAGLOQAYFIC-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.89
Rot. Bonds1

About 2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine

2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine (PubChem CID 14287769) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine.

Molecular Properties

Compound Name2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine
PubChem CID14287769
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine
SMILESCC1N=C(c2ccccc2)SC(C)O1
InChIInChI=1S/C11H13NOS/c1-8-12-11(14-9(2)13-8)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeySMPXAGLOQAYFIC-UHFFFAOYSA-N
XLogP2.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine?
The IUPAC name of 2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine (CID 14287769) is 2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine.
What is the SMILES notation for 2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine?
The canonical SMILES for 2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine is CC1N=C(c2ccccc2)SC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine?
The InChIKey is SMPXAGLOQAYFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-8-12-11(14-9(2)13-8)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine?
2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine has a molecular weight of 207.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine is sourced from PubChem (CID 14287769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).