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

C6H13F3N4O2S — CID 114813274

IUPAC2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CC)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N4O2S/c1-2-13(3-5(10)11)16(14,15)12-4-6(7,8)9/h12H,2-4H2,1H3,(H3,10,11)
InChIKeyYHBKAINKGJIRPJ-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.36
Rot. Bonds6

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

2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide (PubChem CID 114813274) has the molecular formula C6H13F3N4O2S and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
PubChem CID114813274
Molecular FormulaC6H13F3N4O2S
Molecular Weight262.26 g/mol
Exact Mass262.07
IUPAC Name2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CC)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N4O2S/c1-2-13(3-5(10)11)16(14,15)12-4-6(7,8)9/h12H,2-4H2,1H3,(H3,10,11)
InChIKeyYHBKAINKGJIRPJ-UHFFFAOYSA-N
XLogP-0.36
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.36
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-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide (CID 114813274) is 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide is [H]/N=C(\N)CN(CC)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide?
The InChIKey is YHBKAINKGJIRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N4O2S/c1-2-13(3-5(10)11)16(14,15)12-4-6(7,8)9/h12H,2-4H2,1H3,(H3,10,11).
What are the key properties of 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide?
2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide has a molecular weight of 262.26 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide is sourced from PubChem (CID 114813274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).