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

C15H30N2O2S — CID 105360484

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide
SMILESCCN(C1(CN)CCC(C)CC1)S(=O)(=O)C1CCCC1
InChIInChI=1S/C15H30N2O2S/c1-3-17(20(18,19)14-6-4-5-7-14)15(12-16)10-8-13(2)9-11-15/h13-14H,3-12,16H2,1-2H3
InChIKeyYEHYXYSFWKYQHZ-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.49
Rot. Bonds5

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

N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide (PubChem CID 105360484) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide
PubChem CID105360484
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide
SMILESCCN(C1(CN)CCC(C)CC1)S(=O)(=O)C1CCCC1
InChIInChI=1S/C15H30N2O2S/c1-3-17(20(18,19)14-6-4-5-7-14)15(12-16)10-8-13(2)9-11-15/h13-14H,3-12,16H2,1-2H3
InChIKeyYEHYXYSFWKYQHZ-UHFFFAOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-N-ethylcyclopentanesulfonamide
CID 105360481
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide
CID 62009615
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide
CID 104709314
1-(aminomethyl)-1-[ethyl(sulfamoyl)amino]cyclopentane
CID 114958602
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide
CID 62009820
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
CID 62006729
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide
CID 64990033
N-[1-(aminomethyl)cyclopentyl]-1-cyclopropyl-N-ethylmethanesulfonamide
CID 64990132
N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide
CID 62009824
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane
CID 114813896
1-(aminomethyl)-N-cyclohexyl-N,4-dimethylcyclohexan-1-amine
CID 43409627

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide (CID 105360484) is N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide is CCN(C1(CN)CCC(C)CC1)S(=O)(=O)C1CCCC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide?
The InChIKey is YEHYXYSFWKYQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-3-17(20(18,19)14-6-4-5-7-14)15(12-16)10-8-13(2)9-11-15/h13-14H,3-12,16H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide has a molecular weight of 302.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide is sourced from PubChem (CID 105360484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).