N-[[1-(aminomethyl)cyclopentyl]methyl]methanesulfonamide

C8H18N2O2S — CID 115365890

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(CN)CCCC1
InChIInChI=1S/C8H18N2O2S/c1-13(11,12)10-7-8(6-9)4-2-3-5-8/h10H,2-7,9H2,1H3
InChIKeyCXHAOECGKJJCEA-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.05
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopentyl]methyl]methanesulfonamide

N-[[1-(aminomethyl)cyclopentyl]methyl]methanesulfonamide (PubChem CID 115365890) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]methanesulfonamide
PubChem CID115365890
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(CN)CCCC1
InChIInChI=1S/C8H18N2O2S/c1-13(11,12)10-7-8(6-9)4-2-3-5-8/h10H,2-7,9H2,1H3
InChIKeyCXHAOECGKJJCEA-UHFFFAOYSA-N
XLogP0.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
CID 115365845
N-[2-[1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide
CID 9856095
N-[2-[1-(aminomethyl)-3,3-dimethylcyclopentyl]ethyl]methanesulfonamide
CID 9942933
[1-(Aminomethyl)-3-methylcyclopentyl]methanesulfonamide
CID 11820316
3-[1-(Aminomethyl)cyclopentyl]propane-1-sulfonamide
CID 17826919
N-(4,4,5,5-tetramethylhexyl)methanesulfonamide
CID 20706667
N-(5,5-dimethylhexyl)methanesulfonamide
CID 20706690
[1-(Aminomethyl)-3,3-dimethylcyclopentyl]methanesulfonamide
CID 21888236
N-[2-[1-(aminomethyl)cyclopentyl]ethyl]methanesulfonamide
CID 21888290
[1-(Aminomethyl)cyclopentyl]methanesulfonamide
CID 21888351
N-[2-[1-(aminomethyl)-3,3-dimethylcyclobutyl]ethyl]methanesulfonamide
CID 21888381
[(1R,3S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonamide
CID 23563034

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]methanesulfonamide (CID 115365890) is N-[[1-(aminomethyl)cyclopentyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]methanesulfonamide is CS(=O)(=O)NCC1(CN)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]methanesulfonamide?
The InChIKey is CXHAOECGKJJCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-13(11,12)10-7-8(6-9)4-2-3-5-8/h10H,2-7,9H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]methanesulfonamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]methanesulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.05, 4 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]methanesulfonamide is sourced from PubChem (CID 115365890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).