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

C6H10F3N3O2S — CID 114807792

IUPAC1-cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane
SMILESCC(C#N)N(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3N3O2S/c1-5(3-10)12(2)15(13,14)11-4-6(7,8)9/h5,11H,4H2,1-2H3
InChIKeyRHDXZPIZBUNLDF-UHFFFAOYSA-N
MW245.23 g/mol
LogP0.23
Rot. Bonds4

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

1-cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane (PubChem CID 114807792) has the molecular formula C6H10F3N3O2S and a molecular weight of 245.23 g/mol. Its IUPAC name is 1-cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane.

Molecular Properties

Compound Name1-cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane
PubChem CID114807792
Molecular FormulaC6H10F3N3O2S
Molecular Weight245.23 g/mol
Exact Mass245.04
IUPAC Name1-cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane
SMILESCC(C#N)N(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3N3O2S/c1-5(3-10)12(2)15(13,14)11-4-6(7,8)9/h5,11H,4H2,1-2H3
InChIKeyRHDXZPIZBUNLDF-UHFFFAOYSA-N
XLogP0.23
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Difluoromethyl(sulfamoyl)amino]propane
CID 164757955
1,1,1-Trifluoro-2-[methyl(sulfamoyl)amino]propane
CID 66570561
(2R)-1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]propane
CID 66570562
(2S)-1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]propane
CID 66570563
1-Cyano-2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]ethane
CID 113637030
[2-Cyanoethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopropane
CID 113637031
1-Amino-2,2-difluoro-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 114383992
2-(2,2,2-Trifluoroethylsulfamoylamino)propanenitrile
CID 114807666
2-(2,2,2-Trifluoroethylsulfamoylamino)butanenitrile
CID 114807673
1-Cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane
CID 114807754
2-Cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 114807758
2-[[Cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 114807771

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane?
The IUPAC name of 1-cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane (CID 114807792) is 1-cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane.
What is the SMILES notation for 1-cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane?
The canonical SMILES for 1-cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane is CC(C#N)N(C)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane?
The InChIKey is RHDXZPIZBUNLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O2S/c1-5(3-10)12(2)15(13,14)11-4-6(7,8)9/h5,11H,4H2,1-2H3.
What are the key properties of 1-cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane?
1-cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane has a molecular weight of 245.23 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane is sourced from PubChem (CID 114807792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).