(5R)-2-methoxy-6,6-dimethyl-5-phenyl-5H-1,4,3-oxathiazine 4,4-dioxide

C12H15NO4S — CID 139258078

IUPAC(5R)-2-methoxy-6,6-dimethyl-5-phenyl-5H-1,4,3-oxathiazine 4,4-dioxide
SMILESCOC1=NS(=O)(=O)[C@H](c2ccccc2)C(C)(C)O1
InChIInChI=1S/C12H15NO4S/c1-12(2)10(9-7-5-4-6-8-9)18(14,15)13-11(16-3)17-12/h4-8,10H,1-3H3/t10-/m1/s1
InChIKeyMNZCVMJRWXRTDQ-SNVBAGLBSA-N
MW269.32 g/mol
LogP1.87
Rot. Bonds1

About (5R)-2-methoxy-6,6-dimethyl-5-phenyl-5H-1,4,3-oxathiazine 4,4-dioxide

(5R)-2-methoxy-6,6-dimethyl-5-phenyl-5H-1,4,3-oxathiazine 4,4-dioxide (PubChem CID 139258078) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is (5R)-2-methoxy-6,6-dimethyl-5-phenyl-5H-1,4,3-oxathiazine 4,4-dioxide.

Molecular Properties

Compound Name(5R)-2-methoxy-6,6-dimethyl-5-phenyl-5H-1,4,3-oxathiazine 4,4-dioxide
PubChem CID139258078
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name(5R)-2-methoxy-6,6-dimethyl-5-phenyl-5H-1,4,3-oxathiazine 4,4-dioxide
SMILESCOC1=NS(=O)(=O)[C@H](c2ccccc2)C(C)(C)O1
InChIInChI=1S/C12H15NO4S/c1-12(2)10(9-7-5-4-6-8-9)18(14,15)13-11(16-3)17-12/h4-8,10H,1-3H3/t10-/m1/s1
InChIKeyMNZCVMJRWXRTDQ-SNVBAGLBSA-N
XLogP1.87
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-methoxy-6,6-dimethyl-5-phenyl-5H-1,4,3-oxathiazine 4,4-dioxide?
The IUPAC name of (5R)-2-methoxy-6,6-dimethyl-5-phenyl-5H-1,4,3-oxathiazine 4,4-dioxide (CID 139258078) is (5R)-2-methoxy-6,6-dimethyl-5-phenyl-5H-1,4,3-oxathiazine 4,4-dioxide.
What is the SMILES notation for (5R)-2-methoxy-6,6-dimethyl-5-phenyl-5H-1,4,3-oxathiazine 4,4-dioxide?
The canonical SMILES for (5R)-2-methoxy-6,6-dimethyl-5-phenyl-5H-1,4,3-oxathiazine 4,4-dioxide is COC1=NS(=O)(=O)[C@H](c2ccccc2)C(C)(C)O1.
What is the InChIKey of (5R)-2-methoxy-6,6-dimethyl-5-phenyl-5H-1,4,3-oxathiazine 4,4-dioxide?
The InChIKey is MNZCVMJRWXRTDQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-12(2)10(9-7-5-4-6-8-9)18(14,15)13-11(16-3)17-12/h4-8,10H,1-3H3/t10-/m1/s1.
What are the key properties of (5R)-2-methoxy-6,6-dimethyl-5-phenyl-5H-1,4,3-oxathiazine 4,4-dioxide?
(5R)-2-methoxy-6,6-dimethyl-5-phenyl-5H-1,4,3-oxathiazine 4,4-dioxide has a molecular weight of 269.32 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methoxy-6,6-dimethyl-5-phenyl-5H-1,4,3-oxathiazine 4,4-dioxide is sourced from PubChem (CID 139258078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).