3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide

C12H15F2NO3S — CID 66218686

IUPAC3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CC(c2ccc(OC(F)F)cc2)N1
InChIInChI=1S/C12H15F2NO3S/c1-8-6-19(16,17)7-11(15-8)9-2-4-10(5-3-9)18-12(13)14/h2-5,8,11-12,15H,6-7H2,1H3
InChIKeyLTAXSQVGJJNAGR-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.74
Rot. Bonds3

About 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide

3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 66218686) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID66218686
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CC(c2ccc(OC(F)F)cc2)N1
InChIInChI=1S/C12H15F2NO3S/c1-8-6-19(16,17)7-11(15-8)9-2-4-10(5-3-9)18-12(13)14/h2-5,8,11-12,15H,6-7H2,1H3
InChIKeyLTAXSQVGJJNAGR-UHFFFAOYSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazepane
CID 66235114
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide
CID 66217458
5-methyl-3-[4-(trifluoromethyl)phenyl]-1,4-thiazepane 1,1-dioxide
CID 66234218
5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine
CID 66243086
3-[4-(difluoromethoxy)phenyl]-7-methyl-1,4-thiazepane
CID 66226934
3-(4-methoxyphenyl)-6-methyl-1,4-thiazepane 1,1-dioxide
CID 66225287
3-[4-(difluoromethoxy)phenyl]-1,4-thiazepane 1-oxide
CID 66219757
3-[2-(difluoromethoxy)phenyl]-6-methyl-1,4-thiazepane 1,1-dioxide
CID 66226181
3-(3,4-dimethylphenyl)-5-methyl-1,4-thiazepane 1,1-dioxide
CID 66233319
5-methyl-3-(4-propan-2-yloxyphenyl)-1,4-thiazepane 1-oxide
CID 66232404
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 78814169
cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888254

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide (CID 66218686) is 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CC(c2ccc(OC(F)F)cc2)N1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is LTAXSQVGJJNAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c1-8-6-19(16,17)7-11(15-8)9-2-4-10(5-3-9)18-12(13)14/h2-5,8,11-12,15H,6-7H2,1H3.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide?
3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 291.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-5-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66218686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).