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

C11H25N2S+ — CID 87896744

IUPAC[[hexyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
SMILESCCCCCCN(C)C(SC)=[N+](C)C
InChIInChI=1S/C11H25N2S/c1-6-7-8-9-10-13(4)11(14-5)12(2)3/h6-10H2,1-5H3/q+1
InChIKeyUONRHHXDQUTFBF-UHFFFAOYSA-N
MW217.40 g/mol
LogP2.49
Rot. Bonds5

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

[[hexyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium (PubChem CID 87896744) has the molecular formula C11H25N2S+ and a molecular weight of 217.40 g/mol. Its IUPAC name is [[hexyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium.

Molecular Properties

Compound Name[[hexyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
PubChem CID87896744
Molecular FormulaC11H25N2S+
Molecular Weight217.40 g/mol
Exact Mass217.17
IUPAC Name[[hexyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
SMILESCCCCCCN(C)C(SC)=[N+](C)C
InChIInChI=1S/C11H25N2S/c1-6-7-8-9-10-13(4)11(14-5)12(2)3/h6-10H2,1-5H3/q+1
InChIKeyUONRHHXDQUTFBF-UHFFFAOYSA-N
XLogP2.49
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 52.49
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'}

Analyze [[hexyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [[hexyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium?
The IUPAC name of [[hexyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium (CID 87896744) is [[hexyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium.
What is the SMILES notation for [[hexyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium?
The canonical SMILES for [[hexyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium is CCCCCCN(C)C(SC)=[N+](C)C.
What is the InChIKey of [[hexyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium?
The InChIKey is UONRHHXDQUTFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2S/c1-6-7-8-9-10-13(4)11(14-5)12(2)3/h6-10H2,1-5H3/q+1.
What are the key properties of [[hexyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium?
[[hexyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium has a molecular weight of 217.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[hexyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium is sourced from PubChem (CID 87896744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).