N-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide

C8H16F2N2O2S — CID 115365845

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
SMILESNCC1(CNS(=O)(=O)C(F)F)CCCC1
InChIInChI=1S/C8H16F2N2O2S/c9-7(10)15(13,14)12-6-8(5-11)3-1-2-4-8/h7,12H,1-6,11H2
InChIKeyJRCAWSKXYXPNDZ-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.65
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide

N-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide (PubChem CID 115365845) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
PubChem CID115365845
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
SMILESNCC1(CNS(=O)(=O)C(F)F)CCCC1
InChIInChI=1S/C8H16F2N2O2S/c9-7(10)15(13,14)12-6-8(5-11)3-1-2-4-8/h7,12H,1-6,11H2
InChIKeyJRCAWSKXYXPNDZ-UHFFFAOYSA-N
XLogP0.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(aminomethyl)-3,3-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 21888227
N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 21888413
N-[2-[(1S)-1-(aminomethyl)-3,3-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 69422924
N-[2-[(1R)-1-(aminomethyl)-3,3-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 69424362
N-[[1-(aminomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060159
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
CID 103970359
N-(5-amino-2,2-dimethylpentyl)-1,1-difluoromethanesulfonamide
CID 106141821
N-[2-(aminomethyl)-2-ethylbutyl]-1,1-difluoromethanesulfonamide
CID 106251209
N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114812921
N-[(1-methylcyclopentyl)methyl]methanesulfonamide
CID 63822878
N-[[1-(aminomethyl)cyclopentyl]methyl]methanesulfonamide
CID 115365890

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide (CID 115365845) is N-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide is NCC1(CNS(=O)(=O)C(F)F)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is JRCAWSKXYXPNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c9-7(10)15(13,14)12-6-8(5-11)3-1-2-4-8/h7,12H,1-6,11H2.
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 242.29 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 115365845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).