N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide

C13H28N2O3S — CID 62009615

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide
SMILESCCN(C1(CN)CCC(C)CC1)S(=O)(=O)CCOC
InChIInChI=1S/C13H28N2O3S/c1-4-15(19(16,17)10-9-18-3)13(11-14)7-5-12(2)6-8-13/h12H,4-11,14H2,1-3H3
InChIKeyXDBNTQKUZPPFCV-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.19
Rot. Bonds7

About N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide (PubChem CID 62009615) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide
PubChem CID62009615
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide
SMILESCCN(C1(CN)CCC(C)CC1)S(=O)(=O)CCOC
InChIInChI=1S/C13H28N2O3S/c1-4-15(19(16,17)10-9-18-3)13(11-14)7-5-12(2)6-8-13/h12H,4-11,14H2,1-3H3
InChIKeyXDBNTQKUZPPFCV-UHFFFAOYSA-N
XLogP1.19
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-ethoxy-N-ethylethanesulfonamide
CID 63245674
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide
CID 105360484
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide
CID 62009820
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropyl-N-ethylmethanesulfonamide
CID 64990033
1-(aminomethyl)-1-[2-methoxyethylsulfamoyl(methyl)amino]-4-methylcyclohexane
CID 114813893
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
CID 62006729
N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-propylpropane-1-sulfonamide
CID 63289931
N-[1-(aminomethyl)cyclopentyl]-1-cyclopropyl-N-ethylmethanesulfonamide
CID 64990132
1-(aminomethyl)-N-(3-methoxypropyl)-N,4-dimethylcyclohexan-1-amine
CID 62006737
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1-methylsulfonylmethanesulfonamide
CID 82838643
N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide
CID 62009824
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide
CID 104709314

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide (CID 62009615) is N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide is CCN(C1(CN)CCC(C)CC1)S(=O)(=O)CCOC.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide?
The InChIKey is XDBNTQKUZPPFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-4-15(19(16,17)10-9-18-3)13(11-14)7-5-12(2)6-8-13/h12H,4-11,14H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide is sourced from PubChem (CID 62009615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).