1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine

C12H27N3O2S — CID 114803370

IUPAC1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine
SMILESCCC1CCC(CN)(NS(=O)(=O)NC(C)C)CC1
InChIInChI=1S/C12H27N3O2S/c1-4-11-5-7-12(9-13,8-6-11)15-18(16,17)14-10(2)3/h10-11,14-15H,4-9,13H2,1-3H3
InChIKeyVMNGUFOJFSDRSU-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.12
Rot. Bonds6

About 1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine

1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine (PubChem CID 114803370) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine
PubChem CID114803370
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine
SMILESCCC1CCC(CN)(NS(=O)(=O)NC(C)C)CC1
InChIInChI=1S/C12H27N3O2S/c1-4-11-5-7-12(9-13,8-6-11)15-18(16,17)14-10(2)3/h10-11,14-15H,4-9,13H2,1-3H3
InChIKeyVMNGUFOJFSDRSU-UHFFFAOYSA-N
XLogP1.12
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane
CID 28940754
N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide
CID 63834732
N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide
CID 28940738
1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine
CID 65385598
1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
CID 102912303
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide
CID 54937046
N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine
CID 65379539
N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide
CID 64989622
1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine
CID 114816801
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide
CID 104709256
1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine
CID 114803346
1-(aminomethyl)-N-(methylsulfamoyl)cycloheptan-1-amine
CID 114803362

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine (CID 114803370) is 1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine is CCC1CCC(CN)(NS(=O)(=O)NC(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine?
The InChIKey is VMNGUFOJFSDRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-4-11-5-7-12(9-13,8-6-11)15-18(16,17)14-10(2)3/h10-11,14-15H,4-9,13H2,1-3H3.
What are the key properties of 1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine?
1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine is sourced from PubChem (CID 114803370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).