4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide

C7H13F2NO2S — CID 127013294

IUPAC4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1CC(F)F
InChIInChI=1S/C7H13F2NO2S/c1-6-5-13(11,12)3-2-10(6)4-7(8)9/h6-7H,2-5H2,1H3
InChIKeyLQCQPXFWXIFOPK-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.37
Rot. Bonds2

About 4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide

4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 127013294) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID127013294
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1CC(F)F
InChIInChI=1S/C7H13F2NO2S/c1-6-5-13(11,12)3-2-10(6)4-7(8)9/h6-7H,2-5H2,1H3
InChIKeyLQCQPXFWXIFOPK-UHFFFAOYSA-N
XLogP0.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide (CID 127013294) is 4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1CC(F)F.
What is the InChIKey of 4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is LQCQPXFWXIFOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-6-5-13(11,12)3-2-10(6)4-7(8)9/h6-7H,2-5H2,1H3.
What are the key properties of 4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 213.25 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 127013294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).