[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium

C10H21N2S+ — CID 13262641

IUPAC[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium
SMILESCCCS/C(C=[N+](C)C)=C\N(C)C
InChIInChI=1S/C10H21N2S/c1-6-7-13-10(8-11(2)3)9-12(4)5/h8-9H,6-7H2,1-5H3/q+1
InChIKeyJHDIVHSTKMVKFW-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.88
Rot. Bonds5

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

[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium (PubChem CID 13262641) has the molecular formula C10H21N2S+ and a molecular weight of 201.36 g/mol. Its IUPAC name is [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium
PubChem CID13262641
Molecular FormulaC10H21N2S+
Molecular Weight201.36 g/mol
Exact Mass201.14
IUPAC Name[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium
SMILESCCCS/C(C=[N+](C)C)=C\N(C)C
InChIInChI=1S/C10H21N2S/c1-6-7-13-10(8-11(2)3)9-12(4)5/h8-9H,6-7H2,1-5H3/q+1
InChIKeyJHDIVHSTKMVKFW-UHFFFAOYSA-N
XLogP1.88
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate
CID 13262642
[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide
CID 13262653
[(E)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate
CID 20027857
[(E)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide
CID 20027860
[3-(Dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium
CID 53955183
[3-(Dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium perchlorate
CID 73675163
[3-(Dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium iodide
CID 73675165
CID 173397962
CID 173397962
[(Z)-3-(dimethylamino)-2-methylsulfanylprop-2-enylidene]-dimethylazanium
CID 13262638
[(E)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium
CID 20027858

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium?
The IUPAC name of [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium (CID 13262641) is [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium is CCCS/C(C=[N+](C)C)=C\N(C)C.
What is the InChIKey of [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium?
The InChIKey is JHDIVHSTKMVKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2S/c1-6-7-13-10(8-11(2)3)9-12(4)5/h8-9H,6-7H2,1-5H3/q+1.
What are the key properties of [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium?
[(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium has a molecular weight of 201.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(dimethylamino)-2-propylsulfanylprop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 13262641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).