1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide

C8H10F3NO2S2 — CID 12519431

IUPAC1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO2S2/c1-6(5-7-3-2-4-15-7)12-16(13,14)8(9,10)11/h2-4,6,12H,5H2,1H3
InChIKeySWJNADLKJOPSOY-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.12
Rot. Bonds4

About 1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide

1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide (PubChem CID 12519431) has the molecular formula C8H10F3NO2S2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide
PubChem CID12519431
Molecular FormulaC8H10F3NO2S2
Molecular Weight273.30 g/mol
Exact Mass273.01
IUPAC Name1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO2S2/c1-6(5-7-3-2-4-15-7)12-16(13,14)8(9,10)11/h2-4,6,12H,5H2,1H3
InChIKeySWJNADLKJOPSOY-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide 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 1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide (CID 12519431) is 1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide is CC(Cc1cccs1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide?
The InChIKey is SWJNADLKJOPSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2S2/c1-6(5-7-3-2-4-15-7)12-16(13,14)8(9,10)11/h2-4,6,12H,5H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide?
1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide has a molecular weight of 273.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 12519431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).