N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

C10H19F3N2O2S — CID 106125472

IUPACN-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1CCC(CNS(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)4-1-5-18(16,17)15-7-8-2-3-9(14)6-8/h8-9,15H,1-7,14H2
InChIKeyWIKKNDKBSSVELF-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.38
Rot. Bonds6

About N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 106125472) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID106125472
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1CCC(CNS(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)4-1-5-18(16,17)15-7-8-2-3-9(14)6-8/h8-9,15H,1-7,14H2
InChIKeyWIKKNDKBSSVELF-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

rac-((1R,3S)-3-aminocyclopentyl)methanesulfonamide hydrochloride
CID 132371657
(3R)-3-amino-3-cyclopentyl-2,2-difluoropropane-1-sulfonic acid
CID 11492464
3-Amino-3-cyclopentyl-2,2-difluoropropane-1-sulfonic acid
CID 11665923
(3S)-3-amino-3-cyclopentyl-2,2-difluoropropane-1-sulfonic acid
CID 11665924
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
1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide
CID 87401213
3,3,3-trifluoro-N-(3-methylcyclopentyl)propane-1-sulfinamide
CID 129131079
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
1-(2-Amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide
CID 142797226
N-[4-(2-aminoethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 155399157
1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 75454698

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 106125472) is N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is NC1CCC(CNS(=O)(=O)CCCC(F)(F)F)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is WIKKNDKBSSVELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c11-10(12,13)4-1-5-18(16,17)15-7-8-2-3-9(14)6-8/h8-9,15H,1-7,14H2.
What are the key properties of N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 106125472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).