N'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide

C7H15F3N4O3S — CID 104978574

IUPACN'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
SMILESCC(C)(CNS(=O)(=O)NCC(F)(F)F)C(N)=NO
InChIInChI=1S/C7H15F3N4O3S/c1-6(2,5(11)14-15)3-12-18(16,17)13-4-7(8,9)10/h12-13,15H,3-4H2,1-2H3,(H2,11,14)
InChIKeyPUURCXJXAAKJOK-UHFFFAOYSA-N
MW292.28 g/mol
LogP-0.25
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide

N'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide (PubChem CID 104978574) has the molecular formula C7H15F3N4O3S and a molecular weight of 292.28 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
PubChem CID104978574
Molecular FormulaC7H15F3N4O3S
Molecular Weight292.28 g/mol
Exact Mass292.08
IUPAC NameN'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
SMILESCC(C)(CNS(=O)(=O)NCC(F)(F)F)C(N)=NO
InChIInChI=1S/C7H15F3N4O3S/c1-6(2,5(11)14-15)3-12-18(16,17)13-4-7(8,9)10/h12-13,15H,3-4H2,1-2H3,(H2,11,14)
InChIKeyPUURCXJXAAKJOK-UHFFFAOYSA-N
XLogP-0.25
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 5-0.25
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-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
CID 104873880
N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978363
N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978425
N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978432
N'-hydroxy-2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 113637608
2,2-Dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 114813615
N'-hydroxy-2,2-dimethyl-3-(methylsulfamoylamino)propanimidamide
CID 104978572
3-(ethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
CID 104978575
N'-hydroxy-2,2-dimethyl-3-(sulfamoylamino)propanimidamide
CID 104985798

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide (CID 104978574) is N'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide is CC(C)(CNS(=O)(=O)NCC(F)(F)F)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The InChIKey is PUURCXJXAAKJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N4O3S/c1-6(2,5(11)14-15)3-12-18(16,17)13-4-7(8,9)10/h12-13,15H,3-4H2,1-2H3,(H2,11,14).
What are the key properties of N'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
N'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide has a molecular weight of 292.28 g/mol, XLogP of -0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide is sourced from PubChem (CID 104978574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).