[(Z)-2-(difluoromethylsulfonyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium

C8H15F2N2O2S+ — CID 167720960

IUPAC[(Z)-2-(difluoromethylsulfonyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
SMILESCN(C)/C=C(/C=[N+](C)C)S(=O)(=O)C(F)F
InChIInChI=1S/C8H15F2N2O2S/c1-11(2)5-7(6-12(3)4)15(13,14)8(9)10/h5-6,8H,1-4H3/q+1
InChIKeyUNMZIHMTVDIRAK-UHFFFAOYSA-N
MW241.28 g/mol
LogP0.37
Rot. Bonds4

About [(Z)-2-(difluoromethylsulfonyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium

[(Z)-2-(difluoromethylsulfonyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium (PubChem CID 167720960) has the molecular formula C8H15F2N2O2S+ and a molecular weight of 241.28 g/mol. Its IUPAC name is [(Z)-2-(difluoromethylsulfonyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-2-(difluoromethylsulfonyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
PubChem CID167720960
Molecular FormulaC8H15F2N2O2S+
Molecular Weight241.28 g/mol
Exact Mass241.08
IUPAC Name[(Z)-2-(difluoromethylsulfonyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
SMILESCN(C)/C=C(/C=[N+](C)C)S(=O)(=O)C(F)F
InChIInChI=1S/C8H15F2N2O2S/c1-11(2)5-7(6-12(3)4)15(13,14)8(9)10/h5-6,8H,1-4H3/q+1
InChIKeyUNMZIHMTVDIRAK-UHFFFAOYSA-N
XLogP0.37
TPSA40.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(Dimethylamino)-2-(propane-2-sulfonyl)prop-2-en-1-ylidene]dimethylazanium, hexafluoro-lambda5-phosphanuide
CID 165750459
[3-(Dimethylamino)-2-trifluoromethanesulfonylprop-2-en-1-ylidene]dimethylazanium, hexafluoro-lambda5-phosphanuide
CID 165652991
[(Z)-3-(dimethylamino)-2-(trifluoromethylsulfonyl)prop-2-enylidene]-dimethylazanium
CID 165652992
[3-(Dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium
CID 87667599
[3-(Dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium chloride
CID 141111902
[3-(Dimethylamino)-2-methanesulfonylprop-2-en-1-ylidene]dimethylazanium perchlorate
CID 146155157
[(Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enylidene]-dimethylazanium
CID 146155158
[(2Z)-3-(dimethylamino)-2-methanesulfonylprop-2-en-1-ylidene]dimethylazanium, hexafluoro-lambda5-phosphanuide
CID 165464034
[(2Z)-3-(dimethylamino)-2-(ethanesulfonyl)prop-2-en-1-ylidene]dimethylazanium, hexafluoro-lambda5-phosphanuide
CID 165739602
[(Z)-3-(dimethylamino)-2-ethylsulfonylprop-2-enylidene]-dimethylazanium
CID 165739603
[(Z)-3-(dimethylamino)-2-propan-2-ylsulfonylprop-2-enylidene]-dimethylazanium
CID 165750460
[(2Z)-2-difluoromethanesulfonyl-3-(dimethylamino)prop-2-en-1-ylidene]dimethylazanium, hexafluoro-lambda5-phosphanuide
CID 167720959

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(difluoromethylsulfonyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [(Z)-2-(difluoromethylsulfonyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium (CID 167720960) is [(Z)-2-(difluoromethylsulfonyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-2-(difluoromethylsulfonyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(Z)-2-(difluoromethylsulfonyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium is CN(C)/C=C(/C=[N+](C)C)S(=O)(=O)C(F)F.
What is the InChIKey of [(Z)-2-(difluoromethylsulfonyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The InChIKey is UNMZIHMTVDIRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N2O2S/c1-11(2)5-7(6-12(3)4)15(13,14)8(9)10/h5-6,8H,1-4H3/q+1.
What are the key properties of [(Z)-2-(difluoromethylsulfonyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
[(Z)-2-(difluoromethylsulfonyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium has a molecular weight of 241.28 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(difluoromethylsulfonyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 167720960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).