2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide

C8H17F3N4O3S — CID 104978284

IUPAC2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
SMILESCCC(CC)(NS(=O)(=O)NCC(F)(F)F)C(N)=NO
InChIInChI=1S/C8H17F3N4O3S/c1-3-7(4-2,6(12)14-16)15-19(17,18)13-5-8(9,10)11/h13,15-16H,3-5H2,1-2H3,(H2,12,14)
InChIKeyXMMXJVFFYWDEKZ-UHFFFAOYSA-N
MW306.31 g/mol
LogP0.28
Rot. Bonds7

About 2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide

2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide (PubChem CID 104978284) has the molecular formula C8H17F3N4O3S and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
PubChem CID104978284
Molecular FormulaC8H17F3N4O3S
Molecular Weight306.31 g/mol
Exact Mass306.10
IUPAC Name2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
SMILESCCC(CC)(NS(=O)(=O)NCC(F)(F)F)C(N)=NO
InChIInChI=1S/C8H17F3N4O3S/c1-3-7(4-2,6(12)14-16)15-19(17,18)13-5-8(9,10)11/h13,15-16H,3-5H2,1-2H3,(H2,12,14)
InChIKeyXMMXJVFFYWDEKZ-UHFFFAOYSA-N
XLogP0.28
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 50.28
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-1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978315
N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978321
N'-hydroxy-2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 113637608
N'-hydroxy-2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637615
2-Ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 114813313
2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide
CID 104978282
2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide
CID 104978283
2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978285
2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978286
N'-hydroxy-2-methyl-2-(propylsulfamoylamino)butanimidamide
CID 104978344
2-(ethylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide
CID 104978345
N'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978346

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The IUPAC name of 2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide (CID 104978284) is 2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The canonical SMILES for 2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide is CCC(CC)(NS(=O)(=O)NCC(F)(F)F)C(N)=NO.
What is the InChIKey of 2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The InChIKey is XMMXJVFFYWDEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N4O3S/c1-3-7(4-2,6(12)14-16)15-19(17,18)13-5-8(9,10)11/h13,15-16H,3-5H2,1-2H3,(H2,12,14).
What are the key properties of 2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide has a molecular weight of 306.31 g/mol, XLogP of 0.28, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide is sourced from PubChem (CID 104978284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).