N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide

C15H32N2O3S — CID 63245674

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CC)C1(CN)CCC(CC)CC1
InChIInChI=1S/C15H32N2O3S/c1-4-14-7-9-15(13-16,10-8-14)17(5-2)21(18,19)12-11-20-6-3/h14H,4-13,16H2,1-3H3
InChIKeyLULSNTJIAVCNGN-UHFFFAOYSA-N
MW320.50 g/mol
LogP1.97
Rot. Bonds9

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide (PubChem CID 63245674) has the molecular formula C15H32N2O3S and a molecular weight of 320.50 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide
PubChem CID63245674
Molecular FormulaC15H32N2O3S
Molecular Weight320.50 g/mol
Exact Mass320.21
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CC)C1(CN)CCC(CC)CC1
InChIInChI=1S/C15H32N2O3S/c1-4-14-7-9-15(13-16,10-8-14)17(5-2)21(18,19)12-11-20-6-3/h14H,4-13,16H2,1-3H3
InChIKeyLULSNTJIAVCNGN-UHFFFAOYSA-N
XLogP1.97
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide
CID 62009820
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-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide
CID 62009615
N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-propylethanesulfonamide
CID 63245720
N-[1-(aminomethyl)cyclopentyl]-1-cyclopropyl-N-ethylmethanesulfonamide
CID 64990132
1-(aminomethyl)-1-[cyclopropylsulfamoyl(ethyl)amino]-4-ethylcyclohexane
CID 114803828
1-(aminomethyl)-N-(3-ethoxypropyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 65176634
[1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine
CID 65394943
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide
CID 62009824
[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine
CID 62107731

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide (CID 63245674) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide is CCOCCS(=O)(=O)N(CC)C1(CN)CCC(CC)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide?
The InChIKey is LULSNTJIAVCNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3S/c1-4-14-7-9-15(13-16,10-8-14)17(5-2)21(18,19)12-11-20-6-3/h14H,4-13,16H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide has a molecular weight of 320.50 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide is sourced from PubChem (CID 63245674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).