3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide

C7H15F3N4O2S — CID 114813229

IUPAC3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N4O2S/c1-2-14(4-3-6(11)12)17(15,16)13-5-7(8,9)10/h13H,2-5H2,1H3,(H3,11,12)
InChIKeyVKDYFJMOZUCVIZ-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.03
Rot. Bonds7

About 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide

3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide (PubChem CID 114813229) has the molecular formula C7H15F3N4O2S and a molecular weight of 276.28 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
PubChem CID114813229
Molecular FormulaC7H15F3N4O2S
Molecular Weight276.28 g/mol
Exact Mass276.09
IUPAC Name3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N4O2S/c1-2-14(4-3-6(11)12)17(15,16)13-5-7(8,9)10/h13H,2-5H2,1H3,(H3,11,12)
InChIKeyVKDYFJMOZUCVIZ-UHFFFAOYSA-N
XLogP0.03
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide (CID 114813229) is 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide is [H]/N=C(\N)CCN(CC)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The InChIKey is VKDYFJMOZUCVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N4O2S/c1-2-14(4-3-6(11)12)17(15,16)13-5-7(8,9)10/h13H,2-5H2,1H3,(H3,11,12).
What are the key properties of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide has a molecular weight of 276.28 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide is sourced from PubChem (CID 114813229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).