N-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide

C9H17F2NO2S — CID 144507269

IUPACN-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide
SMILESC[C@H]1CC[C@@H](N(CC(F)F)S(C)(=O)=O)C1
InChIInChI=1S/C9H17F2NO2S/c1-7-3-4-8(5-7)12(6-9(10)11)15(2,13)14/h7-9H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyGJXRXSMESVFJDU-JGVFFNPUSA-N
MW241.30 g/mol
LogP1.70
Rot. Bonds4

About N-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide

N-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide (PubChem CID 144507269) has the molecular formula C9H17F2NO2S and a molecular weight of 241.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide
PubChem CID144507269
Molecular FormulaC9H17F2NO2S
Molecular Weight241.30 g/mol
Exact Mass241.09
IUPAC NameN-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide
SMILESC[C@H]1CC[C@@H](N(CC(F)F)S(C)(=O)=O)C1
InChIInChI=1S/C9H17F2NO2S/c1-7-3-4-8(5-7)12(6-9(10)11)15(2,13)14/h7-9H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyGJXRXSMESVFJDU-JGVFFNPUSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-2-methyl-4-propyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276450
N-methyl-N-[2-methyl-4-[[propan-2-yl(trifluoromethyl)amino]methyl]hexan-2-yl]methanesulfonamide
CID 118241721
N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241796
N-[3,5-dimethyl-6-[propan-2-yl(trifluoromethyl)amino]hexan-3-yl]-N-methylmethanesulfonamide
CID 118241947
(2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine
CID 176666115
(3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine
CID 176666132
1-(Difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine
CID 176666200
(3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine
CID 176666250
N-ethyl-1,1,1-trifluoro-N-[(1R,2R)-2-hex-1-ynylcyclopentyl]methanesulfonamide
CID 11393203
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 65827926
N-[(3,3-difluorocyclopentyl)methyl]-N-methylmethanesulfonamide
CID 132299887
N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide
CID 144507244

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide (CID 144507269) is N-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide is C[C@H]1CC[C@@H](N(CC(F)F)S(C)(=O)=O)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide?
The InChIKey is GJXRXSMESVFJDU-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17F2NO2S/c1-7-3-4-8(5-7)12(6-9(10)11)15(2,13)14/h7-9H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of N-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide?
N-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide has a molecular weight of 241.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide is sourced from PubChem (CID 144507269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).