1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane

C11H25N3O2S — CID 54947718

IUPAC1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
SMILESCC(C)N(C)S(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C11H25N3O2S/c1-10(2)14(3)17(15,16)13-11(9-12)7-5-4-6-8-11/h10,13H,4-9,12H2,1-3H3
InChIKeyQYOBLLFYHVVJDO-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.82
Rot. Bonds5

About 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane

1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane (PubChem CID 54947718) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
PubChem CID54947718
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
SMILESCC(C)N(C)S(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C11H25N3O2S/c1-10(2)14(3)17(15,16)13-11(9-12)7-5-4-6-8-11/h10,13H,4-9,12H2,1-3H3
InChIKeyQYOBLLFYHVVJDO-UHFFFAOYSA-N
XLogP0.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]methanesulfonamide
CID 16227899
3-(Dimethylsulfamoylamino)propylcyclohexane
CID 53535321
[(2-Amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane
CID 86780419
1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
4-(aminomethyl)-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine
CID 17946855
1-Amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 22000435
N'-[4-(aminomethyl)cyclohexyl]methyl-N,N-dimethylsulfamide
CID 22254077
1-(Dimethylsulfamoylamino)-4-methylcyclohexane
CID 23381127
(Dimethylsulfamoylamino)methylcyclohexane
CID 35292128
N-[(1-aminocyclohexyl)methyl]methanesulfonamide
CID 43598238
(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 58821835
[(2R)-2-(dimethylsulfamoylamino)propyl]cyclohexane
CID 58923317

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The IUPAC name of 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane (CID 54947718) is 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The canonical SMILES for 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane is CC(C)N(C)S(=O)(=O)NC1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The InChIKey is QYOBLLFYHVVJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-10(2)14(3)17(15,16)13-11(9-12)7-5-4-6-8-11/h10,13H,4-9,12H2,1-3H3.
What are the key properties of 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane has a molecular weight of 263.41 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane is sourced from PubChem (CID 54947718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).