3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide

C8H17F3N4O3S — CID 104978350

IUPAC3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N4O3S/c1-3-15(4-6(2)7(12)14-16)19(17,18)13-5-8(9,10)11/h6,13,16H,3-5H2,1-2H3,(H2,12,14)
InChIKeyUHOXLOKPXBYDBX-UHFFFAOYSA-N
MW306.31 g/mol
LogP0.09
Rot. Bonds7

About 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 104978350) has the molecular formula C8H17F3N4O3S and a molecular weight of 306.31 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID104978350
Molecular FormulaC8H17F3N4O3S
Molecular Weight306.31 g/mol
Exact Mass306.10
IUPAC Name3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N4O3S/c1-3-15(4-6(2)7(12)14-16)19(17,18)13-5-8(9,10)11/h6,13,16H,3-5H2,1-2H3,(H2,12,14)
InChIKeyUHOXLOKPXBYDBX-UHFFFAOYSA-N
XLogP0.09
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 104978350) is 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(C)C(N)=NO)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is UHOXLOKPXBYDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N4O3S/c1-3-15(4-6(2)7(12)14-16)19(17,18)13-5-8(9,10)11/h6,13,16H,3-5H2,1-2H3,(H2,12,14).
What are the key properties of 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 306.31 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 104978350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).