3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide

C8H10F2N2O2S — CID 66014524

IUPAC3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2ccc(C(F)F)n2)C1
InChIInChI=1S/C8H10F2N2O2S/c9-8(10)7-1-3-12(11-7)6-2-4-15(13,14)5-6/h1,3,6,8H,2,4-5H2
InChIKeyRAUTYNCCXJYJRC-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.18
Rot. Bonds2

About 3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide

3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide (PubChem CID 66014524) has the molecular formula C8H10F2N2O2S and a molecular weight of 236.24 g/mol. Its IUPAC name is 3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide
PubChem CID66014524
Molecular FormulaC8H10F2N2O2S
Molecular Weight236.24 g/mol
Exact Mass236.04
IUPAC Name3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2ccc(C(F)F)n2)C1
InChIInChI=1S/C8H10F2N2O2S/c9-8(10)7-1-3-12(11-7)6-2-4-15(13,14)5-6/h1,3,6,8H,2,4-5H2
InChIKeyRAUTYNCCXJYJRC-UHFFFAOYSA-N
XLogP1.18
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 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 3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide (CID 66014524) is 3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide is O=S1(=O)CCC(n2ccc(C(F)F)n2)C1.
What is the InChIKey of 3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide?
The InChIKey is RAUTYNCCXJYJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2S/c9-8(10)7-1-3-12(11-7)6-2-4-15(13,14)5-6/h1,3,6,8H,2,4-5H2.
What are the key properties of 3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide?
3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide has a molecular weight of 236.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 66014524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).