1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine

C9H21N3O2S — CID 114807374

IUPAC1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine
SMILESCCNC1CCC(NS(=O)(=O)NC)CC1
InChIInChI=1S/C9H21N3O2S/c1-3-11-8-4-6-9(7-5-8)12-15(13,14)10-2/h8-12H,3-7H2,1-2H3
InChIKeyZEQXSLQPHMLFBR-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.04
Rot. Bonds5

About 1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine

1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine (PubChem CID 114807374) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine
PubChem CID114807374
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine
SMILESCCNC1CCC(NS(=O)(=O)NC)CC1
InChIInChI=1S/C9H21N3O2S/c1-3-11-8-4-6-9(7-5-8)12-15(13,14)10-2/h8-12H,3-7H2,1-2H3
InChIKeyZEQXSLQPHMLFBR-UHFFFAOYSA-N
XLogP-0.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane
CID 43653561
N-ethylcyclopropanamine;hydrochloride
CID 43810659
N-cyclopropyl-4-(ethylamino)piperidine-1-sulfonamide
CID 114803095
1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947723
N-[4-(ethylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653572
methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate
CID 114811643
N-[(1S,3S)-3-(ethylamino)cyclopentyl]methanesulfonamide
CID 121358992
N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
CID 43653555
1-(2-methylpropyl)-N-(methylsulfamoyl)piperidin-4-amine
CID 174864590
N-(butan-2-ylsulfamoyl)cyclopropanamine
CID 114383068
N-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 43653558
N-ethyl-1-(2-ethylsulfonylethyl)piperidin-4-amine
CID 60820479

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine (CID 114807374) is 1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine is CCNC1CCC(NS(=O)(=O)NC)CC1.
What is the InChIKey of 1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine?
The InChIKey is ZEQXSLQPHMLFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-3-11-8-4-6-9(7-5-8)12-15(13,14)10-2/h8-12H,3-7H2,1-2H3.
What are the key properties of 1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine?
1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine has a molecular weight of 235.35 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 114807374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).