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

C13H28N2O2S — CID 62009820

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide
SMILESCCC1CCC(CN)(N(CC)S(=O)(=O)CC)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-12-7-9-13(11-14,10-8-12)15(5-2)18(16,17)6-3/h12H,4-11,14H2,1-3H3
InChIKeyKYNHNKAESWPRDP-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.96
Rot. Bonds6

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

N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide (PubChem CID 62009820) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide
PubChem CID62009820
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide
SMILESCCC1CCC(CN)(N(CC)S(=O)(=O)CC)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-12-7-9-13(11-14,10-8-12)15(5-2)18(16,17)6-3/h12H,4-11,14H2,1-3H3
InChIKeyKYNHNKAESWPRDP-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide
CID 64990033
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide
CID 82838643
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide
CID 63245674
N-[1-(aminomethyl)cyclopentyl]-1-cyclopropyl-N-ethylmethanesulfonamide
CID 64990132
1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane
CID 114803828
N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide
CID 62009824
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide
CID 62009615
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
1-(aminomethyl)-1-[ethyl(sulfamoyl)amino]cyclopentane
CID 114958602
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide
CID 79161718
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide
CID 105360484

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide (CID 62009820) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide is CCC1CCC(CN)(N(CC)S(=O)(=O)CC)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide?
The InChIKey is KYNHNKAESWPRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-12-7-9-13(11-14,10-8-12)15(5-2)18(16,17)6-3/h12H,4-11,14H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide is sourced from PubChem (CID 62009820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).