1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane

C15H33N3O2S — CID 114813896

IUPAC1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane
SMILESCCCN(C1(CN)CCC(C)CC1)S(=O)(=O)NCC(C)C
InChIInChI=1S/C15H33N3O2S/c1-5-10-18(21(19,20)17-11-13(2)3)15(12-16)8-6-14(4)7-9-15/h13-14,17H,5-12,16H2,1-4H3
InChIKeyGLEOLHTXGDVVGX-UHFFFAOYSA-N
MW319.52 g/mol
LogP2.10
Rot. Bonds8

About 1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane

1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane (PubChem CID 114813896) has the molecular formula C15H33N3O2S and a molecular weight of 319.52 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane
PubChem CID114813896
Molecular FormulaC15H33N3O2S
Molecular Weight319.52 g/mol
Exact Mass319.23
IUPAC Name1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane
SMILESCCCN(C1(CN)CCC(C)CC1)S(=O)(=O)NCC(C)C
InChIInChI=1S/C15H33N3O2S/c1-5-10-18(21(19,20)17-11-13(2)3)15(12-16)8-6-14(4)7-9-15/h13-14,17H,5-12,16H2,1-4H3
InChIKeyGLEOLHTXGDVVGX-UHFFFAOYSA-N
XLogP2.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-1-[cyclopropylsulfamoyl(propyl)amino]cycloheptane
CID 114803852
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N,4-dimethylcyclohexan-1-amine
CID 62006729
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methyl-N-propylbutane-1-sulfonamide
CID 63832978
1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 63487333
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylcyclopentanesulfonamide
CID 105360484
N-[1-(aminomethyl)cycloheptyl]-N-propylpropane-2-sulfonamide
CID 62008030
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide
CID 62007623
1-(aminomethyl)-N,4-dimethyl-N-propylcycloheptan-1-amine
CID 65084771
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methoxyethanesulfonamide
CID 62009615
N-[1-(aminomethyl)cyclopentyl]-3-methyl-N-propylpiperidine-1-sulfonamide
CID 62009026
3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide
CID 62326211
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylpropane-1-sulfonamide
CID 62007624

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane?
The IUPAC name of 1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane (CID 114813896) is 1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane?
The canonical SMILES for 1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane is CCCN(C1(CN)CCC(C)CC1)S(=O)(=O)NCC(C)C.
What is the InChIKey of 1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane?
The InChIKey is GLEOLHTXGDVVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2S/c1-5-10-18(21(19,20)17-11-13(2)3)15(12-16)8-6-14(4)7-9-15/h13-14,17H,5-12,16H2,1-4H3.
What are the key properties of 1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane?
1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane has a molecular weight of 319.52 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane is sourced from PubChem (CID 114813896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).