1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane

C11H18F3N3O2S — CID 35323866

IUPAC1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane
SMILESCN(CCC#N)S(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2S/c1-17(8-2-7-15)20(18,19)16-10-5-3-9(4-6-10)11(12,13)14/h9-10,16H,2-6,8H2,1H3
InChIKeyUHJVOTLOUSJNFB-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.79
Rot. Bonds5

About 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane

1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane (PubChem CID 35323866) has the molecular formula C11H18F3N3O2S and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane
PubChem CID35323866
Molecular FormulaC11H18F3N3O2S
Molecular Weight313.35 g/mol
Exact Mass313.11
IUPAC Name1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane
SMILESCN(CCC#N)S(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2S/c1-17(8-2-7-15)20(18,19)16-10-5-3-9(4-6-10)11(12,13)14/h9-10,16H,2-6,8H2,1H3
InChIKeyUHJVOTLOUSJNFB-UHFFFAOYSA-N
XLogP1.79
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53524276
1-(Dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53526125
2-Methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile
CID 64755683
cis-(1R,3S)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95173994
trans-(1S,3S)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95173995
trans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95173996
cis-(1S,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95173997
cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95286792
trans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95286793
trans-(1R,3R)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95286794
cis-(1S,3R)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95286795
1-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane
CID 99803461

Frequently Asked Questions

What is the IUPAC name of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane (CID 35323866) is 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane is CN(CCC#N)S(=O)(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane?
The InChIKey is UHJVOTLOUSJNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2S/c1-17(8-2-7-15)20(18,19)16-10-5-3-9(4-6-10)11(12,13)14/h9-10,16H,2-6,8H2,1H3.
What are the key properties of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane?
1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane has a molecular weight of 313.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 35323866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).