1-cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane

C11H21N3O2S — CID 61124292

IUPAC1-cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane
SMILESCCC1CCC(C#N)(NS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C11H21N3O2S/c1-4-10-5-7-11(9-12,8-6-10)13-17(15,16)14(2)3/h10,13H,4-8H2,1-3H3
InChIKeyGDWRFUIYNLHRJA-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.24
Rot. Bonds4

About 1-cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane

1-cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane (PubChem CID 61124292) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane.

Molecular Properties

Compound Name1-cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane
PubChem CID61124292
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name1-cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane
SMILESCCC1CCC(C#N)(NS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C11H21N3O2S/c1-4-10-5-7-11(9-12,8-6-10)13-17(15,16)14(2)3/h10,13H,4-8H2,1-3H3
InChIKeyGDWRFUIYNLHRJA-UHFFFAOYSA-N
XLogP1.24
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807707
1-(Aminomethyl)-1-(dimethylsulfamoylamino)-4-ethylcyclohexane
CID 28940726
[Cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane
CID 54947099
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947882
1-Cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947883
1-Cyano-1-(diethylsulfamoylamino)cyclohexane
CID 60713524
N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-sulfonamide
CID 61121904
1-Cyano-1-(dimethylsulfamoylamino)cycloheptane
CID 61121911
N-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide
CID 61122100
1-Cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane
CID 61122288
N-(1-cyano-4-ethylcyclohexyl)methanesulfonamide
CID 61122295
N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide
CID 61122297

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane?
The IUPAC name of 1-cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane (CID 61124292) is 1-cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane.
What is the SMILES notation for 1-cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane?
The canonical SMILES for 1-cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane is CCC1CCC(C#N)(NS(=O)(=O)N(C)C)CC1.
What is the InChIKey of 1-cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane?
The InChIKey is GDWRFUIYNLHRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-4-10-5-7-11(9-12,8-6-10)13-17(15,16)14(2)3/h10,13H,4-8H2,1-3H3.
What are the key properties of 1-cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane?
1-cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane has a molecular weight of 259.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane is sourced from PubChem (CID 61124292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).