1-(aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane

C12H27N3O2S — CID 28940706

IUPAC1-(aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane
SMILESCCN(CC)S(=O)(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C12H27N3O2S/c1-4-15(5-2)18(16,17)14-12(10-13)8-6-11(3)7-9-12/h11,14H,4-10,13H2,1-3H3
InChIKeyYJSBLJWRYDFJCX-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.07
Rot. Bonds6

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

1-(aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane (PubChem CID 28940706) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane
PubChem CID28940706
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name1-(aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane
SMILESCCN(CC)S(=O)(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C12H27N3O2S/c1-4-15(5-2)18(16,17)14-12(10-13)8-6-11(3)7-9-12/h11,14H,4-10,13H2,1-3H3
InChIKeyYJSBLJWRYDFJCX-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Dimethylsulfamoylamino)propylcyclohexane
CID 53535321
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)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-methylcyclohexane
CID 114803789
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
4-methyl-N-(methylsulfamoyl)cyclohexan-1-amine
CID 89949817

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane?
The IUPAC name of 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane (CID 28940706) is 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane.
What is the SMILES notation for 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane?
The canonical SMILES for 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane is CCN(CC)S(=O)(=O)NC1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane?
The InChIKey is YJSBLJWRYDFJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-4-15(5-2)18(16,17)14-12(10-13)8-6-11(3)7-9-12/h11,14H,4-10,13H2,1-3H3.
What are the key properties of 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane?
1-(aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane has a molecular weight of 277.43 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane is sourced from PubChem (CID 28940706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).