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

C10H16F3N3O2S — CID 114807700

IUPAC4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O2S/c1-8-2-4-9(6-14,5-3-8)16-19(17,18)15-7-10(11,12)13/h8,15-16H,2-5,7H2,1H3
InChIKeyOSADYOLNBDFHTF-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.45
Rot. Bonds4

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

4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile (PubChem CID 114807700) has the molecular formula C10H16F3N3O2S and a molecular weight of 299.32 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
PubChem CID114807700
Molecular FormulaC10H16F3N3O2S
Molecular Weight299.32 g/mol
Exact Mass299.09
IUPAC Name4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O2S/c1-8-2-4-9(6-14,5-3-8)16-19(17,18)15-7-10(11,12)13/h8,15-16H,2-5,7H2,1H3
InChIKeyOSADYOLNBDFHTF-UHFFFAOYSA-N
XLogP1.45
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-Cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane
CID 35323866
N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide
CID 61124877
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-Ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807707
2-Cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile
CID 114807735
1-Cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947883
1-Cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane
CID 61125076
4-Ethyl-1-(ethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 113637019
4-Ethyl-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carbonitrile
CID 113637020
4-Methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carbonitrile
CID 113638035

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile (CID 114807700) is 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile is CC1CCC(C#N)(NS(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile?
The InChIKey is OSADYOLNBDFHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2S/c1-8-2-4-9(6-14,5-3-8)16-19(17,18)15-7-10(11,12)13/h8,15-16H,2-5,7H2,1H3.
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile?
4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile has a molecular weight of 299.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 114807700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).