1-cyano-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane

C7H12F3N3O2S — CID 114807863

IUPAC1-cyano-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
SMILESCC(CC#N)N(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H12F3N3O2S/c1-6(3-4-11)13(2)16(14,15)12-5-7(8,9)10/h6,12H,3,5H2,1-2H3
InChIKeyOPJUWPQJJPYJKQ-UHFFFAOYSA-N
MW259.25 g/mol
LogP0.62
Rot. Bonds5

About 1-cyano-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane

1-cyano-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane (PubChem CID 114807863) has the molecular formula C7H12F3N3O2S and a molecular weight of 259.25 g/mol. Its IUPAC name is 1-cyano-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane.

Molecular Properties

Compound Name1-cyano-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
PubChem CID114807863
Molecular FormulaC7H12F3N3O2S
Molecular Weight259.25 g/mol
Exact Mass259.06
IUPAC Name1-cyano-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
SMILESCC(CC#N)N(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H12F3N3O2S/c1-6(3-4-11)13(2)16(14,15)12-5-7(8,9)10/h6,12H,3,5H2,1-2H3
InChIKeyOPJUWPQJJPYJKQ-UHFFFAOYSA-N
XLogP0.62
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyano-2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]ethane
CID 113637030
[2-Cyanoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopropane
CID 113637031
2-(2,2,2-Trifluoroethylsulfamoylamino)propanenitrile
CID 114807666
2-(2,2,2-Trifluoroethylsulfamoylamino)butanenitrile
CID 114807673
2-(2,2,2-Trifluoroethylsulfamoylamino)pentanenitrile
CID 114807680
1-Cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane
CID 114807754
2-Cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 114807758
1-[Cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 114807785
1-Cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane
CID 114807792
3-(2,2,2-Trifluoroethylsulfamoylamino)butanenitrile
CID 114807799
3-(2,2,2-Trifluoroethylsulfamoylamino)pentanenitrile
CID 114807845
2-[Cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 114807949

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The IUPAC name of 1-cyano-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane (CID 114807863) is 1-cyano-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane.
What is the SMILES notation for 1-cyano-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The canonical SMILES for 1-cyano-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane is CC(CC#N)N(C)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-cyano-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The InChIKey is OPJUWPQJJPYJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O2S/c1-6(3-4-11)13(2)16(14,15)12-5-7(8,9)10/h6,12H,3,5H2,1-2H3.
What are the key properties of 1-cyano-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
1-cyano-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane has a molecular weight of 259.25 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane is sourced from PubChem (CID 114807863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).