1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide

C5H10F3NO2S — CID 58427695

IUPAC1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-4(2)3-9-12(10,11)5(6,7)8/h4,9H,3H2,1-2H3
InChIKeyGCPIAYZAVRFINN-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.08
Rot. Bonds3

About 1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide

1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide (PubChem CID 58427695) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
PubChem CID58427695
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC Name1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-4(2)3-9-12(10,11)5(6,7)8/h4,9H,3H2,1-2H3
InChIKeyGCPIAYZAVRFINN-UHFFFAOYSA-N
XLogP1.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide (CID 58427695) is 1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide is CC(C)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide?
The InChIKey is GCPIAYZAVRFINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-4(2)3-9-12(10,11)5(6,7)8/h4,9H,3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide has a molecular weight of 205.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 58427695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).