2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile

C10H16F3N3O2S — CID 114807735

IUPAC2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile
SMILESN#CC(NS(=O)(=O)NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H16F3N3O2S/c11-10(12,13)7-15-19(17,18)16-9(6-14)8-4-2-1-3-5-8/h8-9,15-16H,1-5,7H2
InChIKeyHKDDDJXVUWDACO-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.45
Rot. Bonds5

About 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile

2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile (PubChem CID 114807735) has the molecular formula C10H16F3N3O2S and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile
PubChem CID114807735
Molecular FormulaC10H16F3N3O2S
Molecular Weight299.32 g/mol
Exact Mass299.09
IUPAC Name2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile
SMILESN#CC(NS(=O)(=O)NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H16F3N3O2S/c11-10(12,13)7-15-19(17,18)16-9(6-14)8-4-2-1-3-5-8/h8-9,15-16H,1-5,7H2
InChIKeyHKDDDJXVUWDACO-UHFFFAOYSA-N
XLogP1.45
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

(2S)-2-amino-2-(4,4-difluorocyclohexyl)acetonitrile
CID 57462415
(2S)-2-(4,4-difluorocyclohexyl)-2-(sulfanylamino)acetonitrile
CID 166822412
Tert-butyl-[[cyano-(4,4-difluorocyclohexyl)methyl]amino]-oxidosulfanium
CID 173979421
tert-butyl-[[(S)-cyano-[(1S)-3,3-difluorocyclohexyl]methyl]amino]-oxidosulfanium
CID 174145795
1-[[2-Cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane
CID 35323866
N-[cyano(cyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 61123926
N-[cyano(cyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060110
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106125994
4-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126247
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 113637017
1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 114803675
4-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807700

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile?
The IUPAC name of 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile (CID 114807735) is 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile.
What is the SMILES notation for 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile?
The canonical SMILES for 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile is N#CC(NS(=O)(=O)NCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile?
The InChIKey is HKDDDJXVUWDACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2S/c11-10(12,13)7-15-19(17,18)16-9(6-14)8-4-2-1-3-5-8/h8-9,15-16H,1-5,7H2.
What are the key properties of 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile?
2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile has a molecular weight of 299.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile is sourced from PubChem (CID 114807735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).