2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide

C5H11F3N4O2S — CID 114813261

IUPAC2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H11F3N4O2S/c1-12(2-4(9)10)15(13,14)11-3-5(6,7)8/h11H,2-3H2,1H3,(H3,9,10)
InChIKeyPLXBSDLCHQCDHY-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.75
Rot. Bonds5

About 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide

2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide (PubChem CID 114813261) has the molecular formula C5H11F3N4O2S and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
PubChem CID114813261
Molecular FormulaC5H11F3N4O2S
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H11F3N4O2S/c1-12(2-4(9)10)15(13,14)11-3-5(6,7)8/h11H,2-3H2,1H3,(H3,9,10)
InChIKeyPLXBSDLCHQCDHY-UHFFFAOYSA-N
XLogP-0.75
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.75
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 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide (CID 114813261) is 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide is [H]/N=C(\N)CN(C)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide?
The InChIKey is PLXBSDLCHQCDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N4O2S/c1-12(2-4(9)10)15(13,14)11-3-5(6,7)8/h11H,2-3H2,1H3,(H3,9,10).
What are the key properties of 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide?
2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide has a molecular weight of 248.23 g/mol, XLogP of -0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide is sourced from PubChem (CID 114813261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).