[[decyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium

C15H33N2S+ — CID 87896231

IUPAC[[decyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
SMILESCCCCCCCCCCN(C)C(SC)=[N+](C)C
InChIInChI=1S/C15H33N2S/c1-6-7-8-9-10-11-12-13-14-17(4)15(18-5)16(2)3/h6-14H2,1-5H3/q+1
InChIKeyDXGQHJZYGUQMLF-UHFFFAOYSA-N
MW273.51 g/mol
LogP4.05
Rot. Bonds9

About [[decyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium

[[decyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium (PubChem CID 87896231) has the molecular formula C15H33N2S+ and a molecular weight of 273.51 g/mol. Its IUPAC name is [[decyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium.

Molecular Properties

Compound Name[[decyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
PubChem CID87896231
Molecular FormulaC15H33N2S+
Molecular Weight273.51 g/mol
Exact Mass273.24
IUPAC Name[[decyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
SMILESCCCCCCCCCCN(C)C(SC)=[N+](C)C
InChIInChI=1S/C15H33N2S/c1-6-7-8-9-10-11-12-13-14-17(4)15(18-5)16(2)3/h6-14H2,1-5H3/q+1
InChIKeyDXGQHJZYGUQMLF-UHFFFAOYSA-N
XLogP4.05
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.51
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[decyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium?
The IUPAC name of [[decyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium (CID 87896231) is [[decyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium.
What is the SMILES notation for [[decyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium?
The canonical SMILES for [[decyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium is CCCCCCCCCCN(C)C(SC)=[N+](C)C.
What is the InChIKey of [[decyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium?
The InChIKey is DXGQHJZYGUQMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N2S/c1-6-7-8-9-10-11-12-13-14-17(4)15(18-5)16(2)3/h6-14H2,1-5H3/q+1.
What are the key properties of [[decyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium?
[[decyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium has a molecular weight of 273.51 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[decyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium is sourced from PubChem (CID 87896231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).