4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile

C11H18F3N3O2S — CID 114807707

IUPAC4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2S/c1-2-9-3-5-10(7-15,6-4-9)17-20(18,19)16-8-11(12,13)14/h9,16-17H,2-6,8H2,1H3
InChIKeyNOPOYRDYMYYSMZ-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.84
Rot. Bonds5

About 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile

4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile (PubChem CID 114807707) has the molecular formula C11H18F3N3O2S and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
PubChem CID114807707
Molecular FormulaC11H18F3N3O2S
Molecular Weight313.35 g/mol
Exact Mass313.11
IUPAC Name4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2S/c1-2-9-3-5-10(7-15,6-4-9)17-20(18,19)16-8-11(12,13)14/h9,16-17H,2-6,8H2,1H3
InChIKeyNOPOYRDYMYYSMZ-UHFFFAOYSA-N
XLogP1.84
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide
CID 61123890
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 113637017
1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803364
1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803369
4-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807700
1-(2,2,2-Trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile
CID 114807710
2-Cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile
CID 114807735
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807746
1-Cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane
CID 61124092
1-Cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane
CID 61124292
1-Cyano-4-ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 61453790
1-(Cyclopropylsulfamoylamino)-4-ethylcyclohexane-1-carbonitrile
CID 113637018

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile (CID 114807707) is 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile is CCC1CCC(C#N)(NS(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile?
The InChIKey is NOPOYRDYMYYSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2S/c1-2-9-3-5-10(7-15,6-4-9)17-20(18,19)16-8-11(12,13)14/h9,16-17H,2-6,8H2,1H3.
What are the key properties of 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile?
4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile has a molecular weight of 313.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 114807707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).