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

C8H14F3NO2S — CID 114545440

IUPACN-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO2S/c1-7(2)4-3-6(5-7)12-15(13,14)8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyKSHWYOLZWYNKBC-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.00
Rot. Bonds2

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

N-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 114545440) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID114545440
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC NameN-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO2S/c1-7(2)4-3-6(5-7)12-15(13,14)8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyKSHWYOLZWYNKBC-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 21888413
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
N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]-1,1,1-trifluoromethanesulfonamide
CID 177280038
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
3-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114807280
3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114807284
N-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide
CID 115881053
N-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 115967766

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide (CID 114545440) is N-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide is CC1(C)CCC(NS(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is KSHWYOLZWYNKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-7(2)4-3-6(5-7)12-15(13,14)8(9,10)11/h6,12H,3-5H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide?
N-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 245.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 114545440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).