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

C7H15F3N4O3S — CID 104978279

IUPACN'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
SMILESCCCC(NS(=O)(=O)NCC(F)(F)F)C(N)=NO
InChIInChI=1S/C7H15F3N4O3S/c1-2-3-5(6(11)13-15)14-18(16,17)12-4-7(8,9)10/h5,12,14-15H,2-4H2,1H3,(H2,11,13)
InChIKeyZDAMETSCXOTTMK-UHFFFAOYSA-N
MW292.28 g/mol
LogP-0.11
Rot. Bonds7

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

N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide (PubChem CID 104978279) has the molecular formula C7H15F3N4O3S and a molecular weight of 292.28 g/mol. Its IUPAC name is N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
PubChem CID104978279
Molecular FormulaC7H15F3N4O3S
Molecular Weight292.28 g/mol
Exact Mass292.08
IUPAC NameN'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
SMILESCCCC(NS(=O)(=O)NCC(F)(F)F)C(N)=NO
InChIInChI=1S/C7H15F3N4O3S/c1-2-3-5(6(11)13-15)14-18(16,17)12-4-7(8,9)10/h5,12,14-15H,2-4H2,1H3,(H2,11,13)
InChIKeyZDAMETSCXOTTMK-UHFFFAOYSA-N
XLogP-0.11
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 5-0.11
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

3-[(Difluoromethanesulfonyl)amino]-N-hydroxypentanimidamide
CID 62651828
3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide
CID 76947699
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978266
N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978412
N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide
CID 104978450
N'-hydroxy-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978519
2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 104978525
2-(difluoromethylsulfonylamino)-N'-hydroxybutanimidamide
CID 112495382
2-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide
CID 112495447
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637605
N'-hydroxy-2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 113637608
N'-hydroxy-2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637615

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide (CID 104978279) is N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide is CCCC(NS(=O)(=O)NCC(F)(F)F)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide?
The InChIKey is ZDAMETSCXOTTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N4O3S/c1-2-3-5(6(11)13-15)14-18(16,17)12-4-7(8,9)10/h5,12,14-15H,2-4H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide?
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide has a molecular weight of 292.28 g/mol, XLogP of -0.11, 7 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)pentanimidamide is sourced from PubChem (CID 104978279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).