[dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium

C14H31N2S+ — CID 87805883

IUPAC[dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium
SMILESCCCCCCCCCSC(N(C)C)=[N+](C)C
InChIInChI=1S/C14H31N2S/c1-6-7-8-9-10-11-12-13-17-14(15(2)3)16(4)5/h6-13H2,1-5H3/q+1
InChIKeyOKRCQIOVZZUSEE-UHFFFAOYSA-N
MW259.48 g/mol
LogP3.66
Rot. Bonds8

About [dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium

[dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium (PubChem CID 87805883) has the molecular formula C14H31N2S+ and a molecular weight of 259.48 g/mol. Its IUPAC name is [dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium
PubChem CID87805883
Molecular FormulaC14H31N2S+
Molecular Weight259.48 g/mol
Exact Mass259.22
IUPAC Name[dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium
SMILESCCCCCCCCCSC(N(C)C)=[N+](C)C
InChIInChI=1S/C14H31N2S/c1-6-7-8-9-10-11-12-13-17-14(15(2)3)16(4)5/h6-13H2,1-5H3/q+1
InChIKeyOKRCQIOVZZUSEE-UHFFFAOYSA-N
XLogP3.66
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.48
LogP ≤ 53.66
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 [dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium with MolForge

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

Launch Full Analysis

Related Compounds

[dimethylamino(octylsulfanyl)methylidene]-dimethylazanium;ethyl sulfate
CID 87472351
[dimethylamino(propylsulfanyl)methylidene]-dimethylazanium
CID 59855519
[dimethylamino(propylsulfanyl)methylidene]-dimethylazanium iodide
CID 87471269
pentyl N,N-dimethylcarbamodithioate
CID 174553292
[dimethylamino(propylsulfanyl)methylidene]-dimethylazanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 159351966
undecylsulfanylformic acid
CID 140960974
S-heptadecyl ethanethioate
CID 540884
[dimethylamino(1-phenyltridecylsulfanyl)methylidene]-dimethylazanium
CID 54440780
[dimethylamino-(dioctylamino)methylidene]-dimethylazanium
CID 13127883
heptyl carbamodithioate
CID 3738854
N,N-dimethylmethanamine;tridecane
CID 174432259
octyl nonanedithioate
CID 3826272

Frequently Asked Questions

What is the IUPAC name of [dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium (CID 87805883) is [dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium is CCCCCCCCCSC(N(C)C)=[N+](C)C.
What is the InChIKey of [dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium?
The InChIKey is OKRCQIOVZZUSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N2S/c1-6-7-8-9-10-11-12-13-17-14(15(2)3)16(4)5/h6-13H2,1-5H3/q+1.
What are the key properties of [dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium?
[dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium has a molecular weight of 259.48 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(nonylsulfanyl)methylidene]-dimethylazanium is sourced from PubChem (CID 87805883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).