[cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium

C15H28NS+ — CID 11256323

IUPAC[cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium
SMILESCCCC/C=C\SC(C1CCCCC1)=[N+](C)C
InChIInChI=1S/C15H28NS/c1-4-5-6-10-13-17-15(16(2)3)14-11-8-7-9-12-14/h10,13-14H,4-9,11-12H2,1-3H3/q+1/b13-10-
InChIKeyODXHPSLABTUETL-RAXLEYEMSA-N
MW254.46 g/mol
LogP4.67
Rot. Bonds5

About [cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium

[cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium (PubChem CID 11256323) has the molecular formula C15H28NS+ and a molecular weight of 254.46 g/mol. Its IUPAC name is [cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium.

Molecular Properties

Compound Name[cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium
PubChem CID11256323
Molecular FormulaC15H28NS+
Molecular Weight254.46 g/mol
Exact Mass254.19
IUPAC Name[cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium
SMILESCCCC/C=C\SC(C1CCCCC1)=[N+](C)C
InChIInChI=1S/C15H28NS/c1-4-5-6-10-13-17-15(16(2)3)14-11-8-7-9-12-14/h10,13-14H,4-9,11-12H2,1-3H3/q+1/b13-10-
InChIKeyODXHPSLABTUETL-RAXLEYEMSA-N
XLogP4.67
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 54.67
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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Related Compounds

[cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate
CID 11256322
[cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium
CID 134919586
[(1E)-3-methylbuta-1,3-dienyl] N-methyl-2-propylpentanimidothioate
CID 142982911

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium?
The IUPAC name of [cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium (CID 11256323) is [cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium.
What is the SMILES notation for [cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium?
The canonical SMILES for [cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium is CCCC/C=C\SC(C1CCCCC1)=[N+](C)C.
What is the InChIKey of [cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium?
The InChIKey is ODXHPSLABTUETL-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H28NS/c1-4-5-6-10-13-17-15(16(2)3)14-11-8-7-9-12-14/h10,13-14H,4-9,11-12H2,1-3H3/q+1/b13-10-.
What are the key properties of [cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium?
[cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium has a molecular weight of 254.46 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium is sourced from PubChem (CID 11256323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).