5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide

C13H17F2NO2S — CID 66231103

IUPAC5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide
SMILESCC1(C)CS(=O)CC(c2ccccc2OC(F)F)N1
InChIInChI=1S/C13H17F2NO2S/c1-13(2)8-19(17)7-10(16-13)9-5-3-4-6-11(9)18-12(14)15/h3-6,10,12,16H,7-8H2,1-2H3
InChIKeyZZELIMLACFBHDT-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.46
Rot. Bonds3

About 5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide

5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide (PubChem CID 66231103) has the molecular formula C13H17F2NO2S and a molecular weight of 289.35 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide
PubChem CID66231103
Molecular FormulaC13H17F2NO2S
Molecular Weight289.35 g/mol
Exact Mass289.09
IUPAC Name5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide
SMILESCC1(C)CS(=O)CC(c2ccccc2OC(F)F)N1
InChIInChI=1S/C13H17F2NO2S/c1-13(2)8-19(17)7-10(16-13)9-5-3-4-6-11(9)18-12(14)15/h3-6,10,12,16H,7-8H2,1-2H3
InChIKeyZZELIMLACFBHDT-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide (CID 66231103) is 5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide is CC1(C)CS(=O)CC(c2ccccc2OC(F)F)N1.
What is the InChIKey of 5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide?
The InChIKey is ZZELIMLACFBHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2S/c1-13(2)8-19(17)7-10(16-13)9-5-3-4-6-11(9)18-12(14)15/h3-6,10,12,16H,7-8H2,1-2H3.
What are the key properties of 5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide?
5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide has a molecular weight of 289.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)phenyl]-3,3-dimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66231103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).