N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide

C5H11F3N4O3S — CID 104978266

IUPACN'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
SMILESCC(NS(=O)(=O)NCC(F)(F)F)C(N)=NO
InChIInChI=1S/C5H11F3N4O3S/c1-3(4(9)11-13)12-16(14,15)10-2-5(6,7)8/h3,10,12-13H,2H2,1H3,(H2,9,11)
InChIKeyUHGZYAMMTGQGRA-UHFFFAOYSA-N
MW264.23 g/mol
LogP-0.89
Rot. Bonds5

About N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide

N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide (PubChem CID 104978266) has the molecular formula C5H11F3N4O3S and a molecular weight of 264.23 g/mol. Its IUPAC name is N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
PubChem CID104978266
Molecular FormulaC5H11F3N4O3S
Molecular Weight264.23 g/mol
Exact Mass264.05
IUPAC NameN'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
SMILESCC(NS(=O)(=O)NCC(F)(F)F)C(N)=NO
InChIInChI=1S/C5H11F3N4O3S/c1-3(4(9)11-13)12-16(14,15)10-2-5(6,7)8/h3,10,12-13H,2H2,1H3,(H2,9,11)
InChIKeyUHGZYAMMTGQGRA-UHFFFAOYSA-N
XLogP-0.89
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
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

N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978252
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
CID 104978279
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 104978309
N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978412
N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978425
N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978432
N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide
CID 104978450
N'-hydroxy-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978519
N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 104978543
2-(difluoromethylsulfonylamino)-N'-hydroxypropanimidamide
CID 112495316
2-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide
CID 112495382
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637605

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide (CID 104978266) is N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide is CC(NS(=O)(=O)NCC(F)(F)F)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The InChIKey is UHGZYAMMTGQGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N4O3S/c1-3(4(9)11-13)12-16(14,15)10-2-5(6,7)8/h3,10,12-13H,2H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide has a molecular weight of 264.23 g/mol, XLogP of -0.89, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide is sourced from PubChem (CID 104978266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).