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

C10H22N2O2S — CID 28940774

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]methanesulfonamide
SMILESCCC1CCC(CN)(NS(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-3-9-4-6-10(8-11,7-5-9)12-15(2,13)14/h9,12H,3-8,11H2,1-2H3
InChIKeyZDKSWRDGQYKWGF-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.83
Rot. Bonds4

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

N-[1-(aminomethyl)-4-ethylcyclohexyl]methanesulfonamide (PubChem CID 28940774) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]methanesulfonamide
PubChem CID28940774
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]methanesulfonamide
SMILESCCC1CCC(CN)(NS(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-3-9-4-6-10(8-11,7-5-9)12-15(2,13)14/h9,12H,3-8,11H2,1-2H3
InChIKeyZDKSWRDGQYKWGF-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methanesulfonamide, N-(4-(cyclohexylmethyl)-1-cyclohexyl)-
CID 3025226
N-[1-(aminomethyl)cyclohexyl]methanesulfonamide
CID 16227899
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940710
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940750
N-[1-(aminomethyl)-4-ethylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83047750
1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803369
N-(4-propan-2-ylcyclohexyl)methanesulfonamide
CID 20608719
N-[2-[4-aminocyclohexyl]propyl] 2-propanesulfonamide
CID 22624693
N-(4-methylcyclohexyl)methanesulfonamide
CID 22772359
N-(4-ethylcyclohexyl)methanesulfonamide
CID 22772399
N-(4-tert-butylcyclohexyl)methanesulfonamide
CID 22772448
N-[1-(aminomethyl)cycloheptyl]methanesulfonamide
CID 28940684

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]methanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]methanesulfonamide (CID 28940774) is N-[1-(aminomethyl)-4-ethylcyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]methanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]methanesulfonamide is CCC1CCC(CN)(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]methanesulfonamide?
The InChIKey is ZDKSWRDGQYKWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-3-9-4-6-10(8-11,7-5-9)12-15(2,13)14/h9,12H,3-8,11H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]methanesulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]methanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]methanesulfonamide is sourced from PubChem (CID 28940774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).