1-(aminomethyl)-1-(diethylsulfamoylamino)-4-ethylcyclohexane

C13H29N3O2S — CID 28940746

IUPAC1-(aminomethyl)-1-(diethylsulfamoylamino)-4-ethylcyclohexane
SMILESCCC1CCC(CN)(NS(=O)(=O)N(CC)CC)CC1
InChIInChI=1S/C13H29N3O2S/c1-4-12-7-9-13(11-14,10-8-12)15-19(17,18)16(5-2)6-3/h12,15H,4-11,14H2,1-3H3
InChIKeyUCXUZPUQSDGSRC-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.46
Rot. Bonds7

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

1-(aminomethyl)-1-(diethylsulfamoylamino)-4-ethylcyclohexane (PubChem CID 28940746) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-ethylcyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-1-(diethylsulfamoylamino)-4-ethylcyclohexane
PubChem CID28940746
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name1-(aminomethyl)-1-(diethylsulfamoylamino)-4-ethylcyclohexane
SMILESCCC1CCC(CN)(NS(=O)(=O)N(CC)CC)CC1
InChIInChI=1S/C13H29N3O2S/c1-4-12-7-9-13(11-14,10-8-12)15-19(17,18)16(5-2)6-3/h12,15H,4-11,14H2,1-3H3
InChIKeyUCXUZPUQSDGSRC-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.46
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-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803369
1-(Aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
CID 114803817
1-Amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 22000435
N'-[4-(aminomethyl)cyclohexyl]methyl-N,N-dimethylsulfamide
CID 22254077
1-(Dimethylsulfamoylamino)-4-methylcyclohexane
CID 23381127
[(2R)-2-(dimethylsulfamoylamino)propyl]cyclohexane
CID 58923317
1-Amino-4-[2-(sulfamoylamino)propan-2-yl]cyclohexane
CID 69423308
1-(2-Methylpropyl)-4-[(sulfamoylamino)methyl]cyclohexane
CID 71131584
1-Ethyl-4-[(sulfamoylamino)methyl]cyclohexane
CID 112687372
(Diethylsulfamoylamino)methylcyclohexane
CID 144230977

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-ethylcyclohexane?
The IUPAC name of 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-ethylcyclohexane (CID 28940746) is 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-ethylcyclohexane.
What is the SMILES notation for 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-ethylcyclohexane?
The canonical SMILES for 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-ethylcyclohexane is CCC1CCC(CN)(NS(=O)(=O)N(CC)CC)CC1.
What is the InChIKey of 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-ethylcyclohexane?
The InChIKey is UCXUZPUQSDGSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-4-12-7-9-13(11-14,10-8-12)15-19(17,18)16(5-2)6-3/h12,15H,4-11,14H2,1-3H3.
What are the key properties of 1-(aminomethyl)-1-(diethylsulfamoylamino)-4-ethylcyclohexane?
1-(aminomethyl)-1-(diethylsulfamoylamino)-4-ethylcyclohexane has a molecular weight of 291.46 g/mol, XLogP of 1.46, 7 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-ethylcyclohexane is sourced from PubChem (CID 28940746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).