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

C10H11NOS — CID 3042018

IUPAC2-methyl-4-phenyl-6H-1,3,5-oxathiazine
SMILESCC1OCN=C(c2ccccc2)S1
InChIInChI=1S/C10H11NOS/c1-8-12-7-11-10(13-8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyMXBIMNXDAMOVRF-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.50
Rot. Bonds1

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

2-methyl-4-phenyl-6H-1,3,5-oxathiazine (PubChem CID 3042018) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-methyl-4-phenyl-6H-1,3,5-oxathiazine.

Molecular Properties

Compound Name2-methyl-4-phenyl-6H-1,3,5-oxathiazine
PubChem CID3042018
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-methyl-4-phenyl-6H-1,3,5-oxathiazine
SMILESCC1OCN=C(c2ccccc2)S1
InChIInChI=1S/C10H11NOS/c1-8-12-7-11-10(13-8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyMXBIMNXDAMOVRF-UHFFFAOYSA-N
XLogP2.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-6H-1,3,5-oxathiazine?
The IUPAC name of 2-methyl-4-phenyl-6H-1,3,5-oxathiazine (CID 3042018) is 2-methyl-4-phenyl-6H-1,3,5-oxathiazine.
What is the SMILES notation for 2-methyl-4-phenyl-6H-1,3,5-oxathiazine?
The canonical SMILES for 2-methyl-4-phenyl-6H-1,3,5-oxathiazine is CC1OCN=C(c2ccccc2)S1.
What is the InChIKey of 2-methyl-4-phenyl-6H-1,3,5-oxathiazine?
The InChIKey is MXBIMNXDAMOVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-8-12-7-11-10(13-8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 2-methyl-4-phenyl-6H-1,3,5-oxathiazine?
2-methyl-4-phenyl-6H-1,3,5-oxathiazine has a molecular weight of 193.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-6H-1,3,5-oxathiazine is sourced from PubChem (CID 3042018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).