N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide

C9H19F3N4O3S — CID 104978380

IUPACN'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
SMILESCC(C)CN(CCC(N)=NO)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H19F3N4O3S/c1-7(2)5-16(4-3-8(13)15-17)20(18,19)14-6-9(10,11)12/h7,14,17H,3-6H2,1-2H3,(H2,13,15)
InChIKeyUPHAASQESWAWGF-UHFFFAOYSA-N
MW320.34 g/mol
LogP0.48
Rot. Bonds8

About N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide

N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide (PubChem CID 104978380) has the molecular formula C9H19F3N4O3S and a molecular weight of 320.34 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
PubChem CID104978380
Molecular FormulaC9H19F3N4O3S
Molecular Weight320.34 g/mol
Exact Mass320.11
IUPAC NameN'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
SMILESCC(C)CN(CCC(N)=NO)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H19F3N4O3S/c1-7(2)5-16(4-3-8(13)15-17)20(18,19)14-6-9(10,11)12/h7,14,17H,3-6H2,1-2H3,(H2,13,15)
InChIKeyUPHAASQESWAWGF-UHFFFAOYSA-N
XLogP0.48
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 50.48
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 N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide (CID 104978380) is N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide is CC(C)CN(CCC(N)=NO)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The InChIKey is UPHAASQESWAWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N4O3S/c1-7(2)5-16(4-3-8(13)15-17)20(18,19)14-6-9(10,11)12/h7,14,17H,3-6H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide has a molecular weight of 320.34 g/mol, XLogP of 0.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide is sourced from PubChem (CID 104978380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).