N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide

C7H15F3N4O3S — CID 104978450

IUPACN'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide
SMILESCC(CC(N)=NO)N(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N4O3S/c1-5(3-6(11)13-15)14(2)18(16,17)12-4-7(8,9)10/h5,12,15H,3-4H2,1-2H3,(H2,11,13)
InChIKeyUFEHIKNVALRSJY-UHFFFAOYSA-N
MW292.28 g/mol
LogP-0.16
Rot. Bonds6

About N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide

N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide (PubChem CID 104978450) has the molecular formula C7H15F3N4O3S and a molecular weight of 292.28 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide
PubChem CID104978450
Molecular FormulaC7H15F3N4O3S
Molecular Weight292.28 g/mol
Exact Mass292.08
IUPAC NameN'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide
SMILESCC(CC(N)=NO)N(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N4O3S/c1-5(3-6(11)13-15)14(2)18(16,17)12-4-7(8,9)10/h5,12,15H,3-4H2,1-2H3,(H2,11,13)
InChIKeyUFEHIKNVALRSJY-UHFFFAOYSA-N
XLogP-0.16
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 5-0.16
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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Related Compounds

3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987880
N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978252
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978266
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
CID 104978279
N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978363
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978369
3-[cyclopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 104978375
N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978412
N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978425
N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 104978543
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637605
3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 113637617

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide (CID 104978450) is N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide is CC(CC(N)=NO)N(C)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide?
The InChIKey is UFEHIKNVALRSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N4O3S/c1-5(3-6(11)13-15)14(2)18(16,17)12-4-7(8,9)10/h5,12,15H,3-4H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide?
N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide has a molecular weight of 292.28 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide is sourced from PubChem (CID 104978450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).