N-[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]methanesulfonamide

C7H15F3N2O2S — CID 63860381

IUPACN-[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNCC(F)(F)F)NS(C)(=O)=O
InChIInChI=1S/C7H15F3N2O2S/c1-6(2,12-15(3,13)14)4-11-5-7(8,9)10/h11-12H,4-5H2,1-3H3
InChIKeyYNJUCEGGPMZAJL-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.47
Rot. Bonds5

About N-[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]methanesulfonamide (PubChem CID 63860381) has the molecular formula C7H15F3N2O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is N-[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]methanesulfonamide
PubChem CID63860381
Molecular FormulaC7H15F3N2O2S
Molecular Weight248.27 g/mol
Exact Mass248.08
IUPAC NameN-[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNCC(F)(F)F)NS(C)(=O)=O
InChIInChI=1S/C7H15F3N2O2S/c1-6(2,12-15(3,13)14)4-11-5-7(8,9)10/h11-12H,4-5H2,1-3H3
InChIKeyYNJUCEGGPMZAJL-UHFFFAOYSA-N
XLogP0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]methanesulfonamide (CID 63860381) is N-[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]methanesulfonamide is CC(C)(CNCC(F)(F)F)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]methanesulfonamide?
The InChIKey is YNJUCEGGPMZAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O2S/c1-6(2,12-15(3,13)14)4-11-5-7(8,9)10/h11-12H,4-5H2,1-3H3.
What are the key properties of N-[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]methanesulfonamide has a molecular weight of 248.27 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 63860381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).