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

C7H12F3N3O2S — CID 114807754

IUPAC1-cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane
SMILESCCN(CCC#N)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H12F3N3O2S/c1-2-13(5-3-4-11)16(14,15)12-6-7(8,9)10/h12H,2-3,5-6H2,1H3
InChIKeyLSXAAOKMYHQQDI-UHFFFAOYSA-N
MW259.25 g/mol
LogP0.62
Rot. Bonds6

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

1-cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane (PubChem CID 114807754) has the molecular formula C7H12F3N3O2S and a molecular weight of 259.25 g/mol. Its IUPAC name is 1-cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane.

Molecular Properties

Compound Name1-cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane
PubChem CID114807754
Molecular FormulaC7H12F3N3O2S
Molecular Weight259.25 g/mol
Exact Mass259.06
IUPAC Name1-cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane
SMILESCCN(CCC#N)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H12F3N3O2S/c1-2-13(5-3-4-11)16(14,15)12-6-7(8,9)10/h12H,2-3,5-6H2,1H3
InChIKeyLSXAAOKMYHQQDI-UHFFFAOYSA-N
XLogP0.62
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane?
The IUPAC name of 1-cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane (CID 114807754) is 1-cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane.
What is the SMILES notation for 1-cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane?
The canonical SMILES for 1-cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane is CCN(CCC#N)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane?
The InChIKey is LSXAAOKMYHQQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O2S/c1-2-13(5-3-4-11)16(14,15)12-6-7(8,9)10/h12H,2-3,5-6H2,1H3.
What are the key properties of 1-cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane?
1-cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane has a molecular weight of 259.25 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane is sourced from PubChem (CID 114807754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).