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

C10H23N3O2S — CID 114803335

IUPAC1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine
SMILESCC(C)NS(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C10H23N3O2S/c1-9(2)12-16(14,15)13-10(8-11)6-4-3-5-7-10/h9,12-13H,3-8,11H2,1-2H3
InChIKeyMFRZYVQHKIQZSG-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.48
Rot. Bonds5

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

1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine (PubChem CID 114803335) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine
PubChem CID114803335
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine
SMILESCC(C)NS(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C10H23N3O2S/c1-9(2)12-16(14,15)13-10(8-11)6-4-3-5-7-10/h9,12-13H,3-8,11H2,1-2H3
InChIKeyMFRZYVQHKIQZSG-UHFFFAOYSA-N
XLogP0.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]methanesulfonamide
CID 16227899
[(2-Amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane
CID 86780419
1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
CID 113637328
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803334
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine;hydrochloride
CID 121672586
N-(tert-butylsulfamoyl)cyclohexanamine
CID 15677400
4-(aminomethyl)-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine
CID 17946855
1-Amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 22000435
1-(Dimethylsulfamoylamino)-4-methylcyclohexane
CID 23381127
N-[(1-aminocyclohexyl)methyl]methanesulfonamide
CID 43598238
1-(Sulfinatoamino)ethylcyclohexane
CID 57082838

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine (CID 114803335) is 1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine is CC(C)NS(=O)(=O)NC1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine?
The InChIKey is MFRZYVQHKIQZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-9(2)12-16(14,15)13-10(8-11)6-4-3-5-7-10/h9,12-13H,3-8,11H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine?
1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine is sourced from PubChem (CID 114803335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).