1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane

C9H21N3O2S — CID 28940464

IUPAC1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane
SMILESCN(C)S(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C9H21N3O2S/c1-12(2)15(13,14)11-9(8-10)6-4-3-5-7-9/h11H,3-8,10H2,1-2H3
InChIKeyMMFZYANVJJUUFH-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.04
Rot. Bonds4

About 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane

1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane (PubChem CID 28940464) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane
PubChem CID28940464
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane
SMILESCN(C)S(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C9H21N3O2S/c1-12(2)15(13,14)11-9(8-10)6-4-3-5-7-9/h11H,3-8,10H2,1-2H3
InChIKeyMMFZYANVJJUUFH-UHFFFAOYSA-N
XLogP0.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.04
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
3-Amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane
CID 91659860
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
CID 113637328
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803334
1-(Aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
CID 114803766
4-(aminomethyl)-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine
CID 17946855
[4-(Aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium
CID 18324777
1-Amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 22000435
N'-[4-(aminomethyl)cyclohexyl]methyl-N,N-dimethylsulfamide
CID 22254077

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane?
The IUPAC name of 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane (CID 28940464) is 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane?
The canonical SMILES for 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane is CN(C)S(=O)(=O)NC1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane?
The InChIKey is MMFZYANVJJUUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-12(2)15(13,14)11-9(8-10)6-4-3-5-7-9/h11H,3-8,10H2,1-2H3.
What are the key properties of 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane?
1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane has a molecular weight of 235.35 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane is sourced from PubChem (CID 28940464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).