[dimethylamino(pentylsulfanyl)methylidene]-dimethylazanium

C10H23N2S+ — CID 87809777

IUPAC[dimethylamino(pentylsulfanyl)methylidene]-dimethylazanium
SMILESCCCCCSC(N(C)C)=[N+](C)C
InChIInChI=1S/C10H23N2S/c1-6-7-8-9-13-10(11(2)3)12(4)5/h6-9H2,1-5H3/q+1
InChIKeyYAGQYCNYFFRDEV-UHFFFAOYSA-N
MW203.38 g/mol
LogP2.10
Rot. Bonds4

About [dimethylamino(pentylsulfanyl)methylidene]-dimethylazanium

[dimethylamino(pentylsulfanyl)methylidene]-dimethylazanium (PubChem CID 87809777) has the molecular formula C10H23N2S+ and a molecular weight of 203.38 g/mol. Its IUPAC name is [dimethylamino(pentylsulfanyl)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino(pentylsulfanyl)methylidene]-dimethylazanium
PubChem CID87809777
Molecular FormulaC10H23N2S+
Molecular Weight203.38 g/mol
Exact Mass203.16
IUPAC Name[dimethylamino(pentylsulfanyl)methylidene]-dimethylazanium
SMILESCCCCCSC(N(C)C)=[N+](C)C
InChIInChI=1S/C10H23N2S/c1-6-7-8-9-13-10(11(2)3)12(4)5/h6-9H2,1-5H3/q+1
InChIKeyYAGQYCNYFFRDEV-UHFFFAOYSA-N
XLogP2.10
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.10
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 [dimethylamino(pentylsulfanyl)methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino(pentylsulfanyl)methylidene]-dimethylazanium (CID 87809777) is [dimethylamino(pentylsulfanyl)methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino(pentylsulfanyl)methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino(pentylsulfanyl)methylidene]-dimethylazanium is CCCCCSC(N(C)C)=[N+](C)C.
What is the InChIKey of [dimethylamino(pentylsulfanyl)methylidene]-dimethylazanium?
The InChIKey is YAGQYCNYFFRDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2S/c1-6-7-8-9-13-10(11(2)3)12(4)5/h6-9H2,1-5H3/q+1.
What are the key properties of [dimethylamino(pentylsulfanyl)methylidene]-dimethylazanium?
[dimethylamino(pentylsulfanyl)methylidene]-dimethylazanium has a molecular weight of 203.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(pentylsulfanyl)methylidene]-dimethylazanium is sourced from PubChem (CID 87809777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).