1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane

C10H23N3O2S — CID 28940686

IUPAC1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane
SMILESCC1CCC(CN)(NS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C10H23N3O2S/c1-9-4-6-10(8-11,7-5-9)12-16(14,15)13(2)3/h9,12H,4-8,11H2,1-3H3
InChIKeyGFVVGTSFQNTGNX-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.29
Rot. Bonds4

About 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane

1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane (PubChem CID 28940686) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane
PubChem CID28940686
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane
SMILESCC1CCC(CN)(NS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C10H23N3O2S/c1-9-4-6-10(8-11,7-5-9)12-16(14,15)13(2)3/h9,12H,4-8,11H2,1-3H3
InChIKeyGFVVGTSFQNTGNX-UHFFFAOYSA-N
XLogP0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803364
1-(Aminomethyl)-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
CID 114803783
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
1-(Dimethylsulfamoylamino)-4-methylcyclohexane
CID 23381127
(Dimethylsulfamoylamino)methylcyclohexane
CID 35292128
[(2R)-2-(dimethylsulfamoylamino)propyl]cyclohexane
CID 58923317

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane?
The IUPAC name of 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane (CID 28940686) is 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane.
What is the SMILES notation for 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane?
The canonical SMILES for 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane is CC1CCC(CN)(NS(=O)(=O)N(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane?
The InChIKey is GFVVGTSFQNTGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-9-4-6-10(8-11,7-5-9)12-16(14,15)13(2)3/h9,12H,4-8,11H2,1-3H3.
What are the key properties of 1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane?
1-(aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane has a molecular weight of 249.38 g/mol, XLogP of 0.29, 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)-4-methylcyclohexane is sourced from PubChem (CID 28940686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).