1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane

C12H27N3O2S — CID 43653561

IUPAC1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane
SMILESCCNC1CCC(NS(=O)(=O)N(CC)CC)CC1
InChIInChI=1S/C12H27N3O2S/c1-4-13-11-7-9-12(10-8-11)14-18(16,17)15(5-2)6-3/h11-14H,4-10H2,1-3H3
InChIKeyJQRVCXIZKNZHHB-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.08
Rot. Bonds7

About 1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane

1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane (PubChem CID 43653561) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane.

Molecular Properties

Compound Name1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane
PubChem CID43653561
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane
SMILESCCNC1CCC(NS(=O)(=O)N(CC)CC)CC1
InChIInChI=1S/C12H27N3O2S/c1-4-13-11-7-9-12(10-8-11)14-18(16,17)15(5-2)6-3/h11-14H,4-10H2,1-3H3
InChIKeyJQRVCXIZKNZHHB-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(diethylsulfamoylamino)cyclohexane
CID 31065973
(diethylsulfamoylamino)cyclopentane
CID 60713674
1-(ethylamino)-4-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947723
1-N-ethyl-4-N-(methylsulfamoyl)cyclohexane-1,4-diamine
CID 114807374
methyl 2-[cyclopropylsulfamoyl(ethyl)amino]acetate
CID 114383181
8-(diethylsulfamoylamino)-1,4-dioxaspiro[4.5]decane
CID 47319519
3-[cyclopropylsulfamoyl(ethyl)amino]propanethioamide
CID 114808211
N-ethylcyclopropanamine;hydrochloride
CID 43810659
N-cyclopropyl-4-(ethylamino)piperidine-1-sulfonamide
CID 114803095
(3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride
CID 120716789
[[2-aminoethyl(propyl)sulfamoyl]amino]cyclopropane
CID 114803733
N-[4-(ethylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653572

Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane?
The IUPAC name of 1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane (CID 43653561) is 1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane.
What is the SMILES notation for 1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane?
The canonical SMILES for 1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane is CCNC1CCC(NS(=O)(=O)N(CC)CC)CC1.
What is the InChIKey of 1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane?
The InChIKey is JQRVCXIZKNZHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-4-13-11-7-9-12(10-8-11)14-18(16,17)15(5-2)6-3/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane?
1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane has a molecular weight of 277.43 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane is sourced from PubChem (CID 43653561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).