[(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium hexafluorophosphate

C8H17F6N2O2PS — CID 165464034

IUPAC[(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium hexafluorophosphate
SMILESCN(C)/C=C(/C=[N+](C)C)S(C)(=O)=O.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H17N2O2S.F6P/c1-9(2)6-8(7-10(3)4)13(5,11)12;1-7(2,3,4,5)6/h6-7H,1-5H3;/q+1;-1
InChIKeyQZLBMUJJLACUOT-UHFFFAOYSA-N
MW350.27 g/mol
LogP3.16
Rot. Bonds3

About [(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium hexafluorophosphate

[(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium hexafluorophosphate (PubChem CID 165464034) has the molecular formula C8H17F6N2O2PS and a molecular weight of 350.27 g/mol. Its IUPAC name is [(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium hexafluorophosphate.

Molecular Properties

Compound Name[(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium hexafluorophosphate
PubChem CID165464034
Molecular FormulaC8H17F6N2O2PS
Molecular Weight350.27 g/mol
Exact Mass350.07
IUPAC Name[(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium hexafluorophosphate
SMILESCN(C)/C=C(/C=[N+](C)C)S(C)(=O)=O.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H17N2O2S.F6P/c1-9(2)6-8(7-10(3)4)13(5,11)12;1-7(2,3,4,5)6/h6-7H,1-5H3;/q+1;-1
InChIKeyQZLBMUJJLACUOT-UHFFFAOYSA-N
XLogP3.16
TPSA40.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium hexafluorophosphate?
The IUPAC name of [(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium hexafluorophosphate (CID 165464034) is [(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium hexafluorophosphate.
What is the SMILES notation for [(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium hexafluorophosphate?
The canonical SMILES for [(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium hexafluorophosphate is CN(C)/C=C(/C=[N+](C)C)S(C)(=O)=O.F[P-](F)(F)(F)(F)F.
What is the InChIKey of [(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium hexafluorophosphate?
The InChIKey is QZLBMUJJLACUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O2S.F6P/c1-9(2)6-8(7-10(3)4)13(5,11)12;1-7(2,3,4,5)6/h6-7H,1-5H3;/q+1;-1.
What are the key properties of [(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium hexafluorophosphate?
[(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium hexafluorophosphate has a molecular weight of 350.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium hexafluorophosphate is sourced from PubChem (CID 165464034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).