2-[cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane

C7H12F3N3O2S — CID 114807949

IUPAC2-[cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
SMILESCC(C)N(CC#N)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H12F3N3O2S/c1-6(2)13(4-3-11)16(14,15)12-5-7(8,9)10/h6,12H,4-5H2,1-2H3
InChIKeyHNRFOGYKXDNZGG-UHFFFAOYSA-N
MW259.25 g/mol
LogP0.62
Rot. Bonds5

About 2-[cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane

2-[cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane (PubChem CID 114807949) has the molecular formula C7H12F3N3O2S and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-[cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane.

Molecular Properties

Compound Name2-[cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
PubChem CID114807949
Molecular FormulaC7H12F3N3O2S
Molecular Weight259.25 g/mol
Exact Mass259.06
IUPAC Name2-[cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
SMILESCC(C)N(CC#N)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H12F3N3O2S/c1-6(2)13(4-3-11)16(14,15)12-5-7(8,9)10/h6,12H,4-5H2,1-2H3
InChIKeyHNRFOGYKXDNZGG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The IUPAC name of 2-[cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane (CID 114807949) is 2-[cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane.
What is the SMILES notation for 2-[cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The canonical SMILES for 2-[cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane is CC(C)N(CC#N)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The InChIKey is HNRFOGYKXDNZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O2S/c1-6(2)13(4-3-11)16(14,15)12-5-7(8,9)10/h6,12H,4-5H2,1-2H3.
What are the key properties of 2-[cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
2-[cyanomethyl(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 2-[cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane is sourced from PubChem (CID 114807949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).