N-[1-(aminomethyl)-4-methylcyclohexyl]methanesulfonamide

C9H20N2O2S — CID 28940724

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]methanesulfonamide
SMILESCC1CCC(CN)(NS(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-8-3-5-9(7-10,6-4-8)11-14(2,12)13/h8,11H,3-7,10H2,1-2H3
InChIKeyGBAWKUVSFDTHSW-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.44
Rot. Bonds3

About N-[1-(aminomethyl)-4-methylcyclohexyl]methanesulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]methanesulfonamide (PubChem CID 28940724) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]methanesulfonamide
PubChem CID28940724
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]methanesulfonamide
SMILESCC1CCC(CN)(NS(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-8-3-5-9(7-10,6-4-8)11-14(2,12)13/h8,11H,3-7,10H2,1-2H3
InChIKeyGBAWKUVSFDTHSW-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methanesulfonamidomethyl)cyclohexyl]methyl]methanesulfonamide
CID 76321684
N-[1-(aminomethyl)cyclohexyl]methanesulfonamide
CID 16227899
N-(cyclohexylmethyl)methanesulfonamide
CID 19684282
N-(1-amino-2,4-dimethylpentan-2-yl)methanesulfonamide
CID 84591478
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940710
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940750
N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068012
N-(4-methylcyclohexyl)methanesulfonamide
CID 22772359
N-(4-ethylcyclohexyl)methanesulfonamide
CID 22772399
N-[(1-aminocyclohexyl)methyl]methanesulfonamide
CID 43598238
N-(3-cyclohexylpropyl)methanesulfonamide
CID 53967702
N-(2-cyclohexylethyl)methanesulfonamide
CID 54538603

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]methanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]methanesulfonamide (CID 28940724) is N-[1-(aminomethyl)-4-methylcyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]methanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]methanesulfonamide is CC1CCC(CN)(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]methanesulfonamide?
The InChIKey is GBAWKUVSFDTHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8-3-5-9(7-10,6-4-8)11-14(2,12)13/h8,11H,3-7,10H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]methanesulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]methanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]methanesulfonamide is sourced from PubChem (CID 28940724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).