2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide

C5H11F3N4O2S — CID 114813456

IUPAC2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H11F3N4O2S/c1-3(4(9)10)12-15(13,14)11-2-5(6,7)8/h3,11-12H,2H2,1H3,(H3,9,10)
InChIKeyLXERIQBKTUVZEF-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.70
Rot. Bonds5

About 2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide

2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide (PubChem CID 114813456) has the molecular formula C5H11F3N4O2S and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
PubChem CID114813456
Molecular FormulaC5H11F3N4O2S
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H11F3N4O2S/c1-3(4(9)10)12-15(13,14)11-2-5(6,7)8/h3,11-12H,2H2,1H3,(H3,9,10)
InChIKeyLXERIQBKTUVZEF-UHFFFAOYSA-N
XLogP-0.70
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
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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Related Compounds

2-(Difluoromethylsulfonylamino)butanimidamide
CID 64406344
2-(Difluoromethylsulfonylamino)propanimidamide
CID 64413304
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978266
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
CID 104978279
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637605
N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 113637624
3-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide
CID 113637731
2-(2,2,2-Trifluoroethylsulfamoylamino)pentanimidamide
CID 113637756
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637763
2-[Propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 113637779
3-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813151
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 114813180

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide (CID 114813456) is 2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide is [H]/N=C(\N)C(C)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The InChIKey is LXERIQBKTUVZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N4O2S/c1-3(4(9)10)12-15(13,14)11-2-5(6,7)8/h3,11-12H,2H2,1H3,(H3,9,10).
What are the key properties of 2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide has a molecular weight of 248.23 g/mol, XLogP of -0.70, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide is sourced from PubChem (CID 114813456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).