N-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide

C8H15F2NO2S — CID 115881053

IUPACN-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)C(F)F)C1
InChIInChI=1S/C8H15F2NO2S/c1-8(2)4-3-6(5-8)11-14(12,13)7(9)10/h6-7,11H,3-5H2,1-2H3
InChIKeyRXZOIFVSODMRBR-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.71
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide

N-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide (PubChem CID 115881053) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide
PubChem CID115881053
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC NameN-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)C(F)F)C1
InChIInChI=1S/C8H15F2NO2S/c1-8(2)4-3-6(5-8)11-14(12,13)7(9)10/h6-7,11H,3-5H2,1-2H3
InChIKeyRXZOIFVSODMRBR-UHFFFAOYSA-N
XLogP1.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-N-[(1R,3S)-3-methylcyclopentyl]propane-1-sulfonamide
CID 68316105
1,1-difluoro-N-[(7S)-spiro[2.4]heptan-7-yl]methanesulfonamide
CID 176666116
N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide
CID 177280010
1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide
CID 14967680
1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclopentyl]methanesulfonamide
CID 101913203
N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 106125546
1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide
CID 114545159
4,4,4-trifluoro-N-(3-methylcyclopentyl)butane-1-sulfonamide
CID 114545331
N-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide
CID 114545440
3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114807284
N-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 115967766
1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide
CID 130677308

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide (CID 115881053) is N-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide is CC1(C)CCC(NS(=O)(=O)C(F)F)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide?
The InChIKey is RXZOIFVSODMRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-8(2)4-3-6(5-8)11-14(12,13)7(9)10/h6-7,11H,3-5H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide?
N-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 115881053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).