N-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide

C11H20F3NO2S — CID 115967766

IUPACN-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2S/c1-10(2)6-4-9(8-10)15-18(16,17)7-3-5-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyQJXBXWJFBOFYMS-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.83
Rot. Bonds5

About N-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 115967766) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID115967766
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC NameN-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2S/c1-10(2)6-4-9(8-10)15-18(16,17)7-3-5-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyQJXBXWJFBOFYMS-UHFFFAOYSA-N
XLogP2.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.83
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
N-[(1R,3S)-3-ethylcyclopentyl]-3-fluoropropane-1-sulfonamide
CID 70642520
3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide
CID 129131079
N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 156532369
N-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide
CID 71918597
N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058673
N-[[1-(aminomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060159
N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067789
N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068317
N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 84600262
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide
CID 97614599
N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide
CID 97614600

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 115967766) is N-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide is CC1(C)CCC(NS(=O)(=O)CCCC(F)(F)F)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is QJXBXWJFBOFYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-10(2)6-4-9(8-10)15-18(16,17)7-3-5-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 287.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 115967766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).