4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine

C15H21NOS — CID 139218762

IUPAC4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine
SMILESCC(C)C1N=C(c2ccccc2)SC(C(C)C)O1
InChIInChI=1S/C15H21NOS/c1-10(2)13-16-14(12-8-6-5-7-9-12)18-15(17-13)11(3)4/h5-11,13,15H,1-4H3
InChIKeyGKZFLOHMSLAEGD-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.16
Rot. Bonds3

About 4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine

4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine (PubChem CID 139218762) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine.

Molecular Properties

Compound Name4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine
PubChem CID139218762
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine
SMILESCC(C)C1N=C(c2ccccc2)SC(C(C)C)O1
InChIInChI=1S/C15H21NOS/c1-10(2)13-16-14(12-8-6-5-7-9-12)18-15(17-13)11(3)4/h5-11,13,15H,1-4H3
InChIKeyGKZFLOHMSLAEGD-UHFFFAOYSA-N
XLogP4.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiazole, 4,5-dihydro-2-phenyl-
CID 200788
5-Methyl-2-phenyl-4,5-dihydro-1,3-thiazole
CID 211414
6H-1,3,5-Oxathiazine, 4-(4-methylphenyl)-
CID 204087
6H-1,3,5-Oxathiazine, 4-phenyl-
CID 204089
6H-1,3,5-Oxathiazine, 2-methyl-4-phenyl-
CID 3042018
2,6-ditert-butyl-4-(4-fluorophenyl)-6H-1,3,5-oxathiazine
CID 11174338
4-[(Methylsulfanyl)(phenyl)methylidene]morpholin-4-ium iodide
CID 12322618
2-Phenyl-5,6-dihydro-4h-1,3-thiazine
CID 241006
2,6-ditert-butyl-4-(4-fluorophenyl)-6H-1,3,5-oxathiazine 3-oxide
CID 101265629
2,6-ditert-butyl-4-(4-fluorophenyl)-6H-1,3,5-oxathiazine 3,3-dioxide
CID 139218765
2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine
CID 14287769
2,6-ditert-butyl-4-phenyl-6H-1,3,5-oxathiazine
CID 85995654

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine?
The IUPAC name of 4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine (CID 139218762) is 4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine.
What is the SMILES notation for 4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine?
The canonical SMILES for 4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine is CC(C)C1N=C(c2ccccc2)SC(C(C)C)O1.
What is the InChIKey of 4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine?
The InChIKey is GKZFLOHMSLAEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-10(2)13-16-14(12-8-6-5-7-9-12)18-15(17-13)11(3)4/h5-11,13,15H,1-4H3.
What are the key properties of 4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine?
4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine has a molecular weight of 263.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine is sourced from PubChem (CID 139218762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).