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

C8H10F3NO2S2 — CID 134861646

IUPAC1,1,1-trifluoro-N-[(2S)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide
SMILESC[C@@H](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/t6-/m0/s1
InChIKeySWJNADLKJOPSOY-LURJTMIESA-N
MW273.30 g/mol
LogP2.12
Rot. Bonds4

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

1,1,1-trifluoro-N-[(2S)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide (PubChem CID 134861646) has the molecular formula C8H10F3NO2S2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(2S)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(2S)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide
PubChem CID134861646
Molecular FormulaC8H10F3NO2S2
Molecular Weight273.30 g/mol
Exact Mass273.01
IUPAC Name1,1,1-trifluoro-N-[(2S)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide
SMILESC[C@@H](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/t6-/m0/s1
InChIKeySWJNADLKJOPSOY-LURJTMIESA-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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(2S)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(2S)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide (CID 134861646) is 1,1,1-trifluoro-N-[(2S)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(2S)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(2S)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide is C[C@@H](Cc1cccs1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(2S)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide?
The InChIKey is SWJNADLKJOPSOY-LURJTMIESA-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/t6-/m0/s1.
What are the key properties of 1,1,1-trifluoro-N-[(2S)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide?
1,1,1-trifluoro-N-[(2S)-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-[(2S)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 134861646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).