2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide

C9H18F3NO2S — CID 169004233

IUPAC2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide
SMILESCCC(CC(F)(F)F)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H18F3NO2S/c1-5-7(6-9(10,11)12)13-16(14,15)8(2,3)4/h7,13H,5-6H2,1-4H3
InChIKeyOWNRICRYHFMZNJ-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.44
Rot. Bonds4

About 2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide

2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide (PubChem CID 169004233) has the molecular formula C9H18F3NO2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide
PubChem CID169004233
Molecular FormulaC9H18F3NO2S
Molecular Weight261.31 g/mol
Exact Mass261.10
IUPAC Name2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide
SMILESCCC(CC(F)(F)F)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H18F3NO2S/c1-5-7(6-9(10,11)12)13-16(14,15)8(2,3)4/h7,13H,5-6H2,1-4H3
InChIKeyOWNRICRYHFMZNJ-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Propyl perfluorohexane sulfonamide
CID 19931112
1,1,1-trifluoro-N-pentan-3-ylmethanesulfonamide
CID 166445234
1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1-methylethyl)-
CID 159195
1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-propylpentane-1-sulfonamide
CID 19931113
2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide
CID 58525236
2,2,2-trifluoro-N-propan-2-ylethanesulfonamide
CID 59302447
1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide
CID 87155234
(S)-2-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propane-2-sulfinamide
CID 87159547
(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]propane-2-sulfinamide
CID 87159616
(R)-2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide
CID 87159671
N-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide
CID 87160176
1,1,1-trifluoro-N-pentan-2-ylmethanesulfonamide
CID 87844438

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide (CID 169004233) is 2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide is CCC(CC(F)(F)F)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide?
The InChIKey is OWNRICRYHFMZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2S/c1-5-7(6-9(10,11)12)13-16(14,15)8(2,3)4/h7,13H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide?
2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide has a molecular weight of 261.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 169004233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).