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

C14H26NS+ — CID 134919586

IUPAC[cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium
SMILESCCCC/C=C\SC(C1CCCC1)=[N+](C)C
InChIInChI=1S/C14H26NS/c1-4-5-6-9-12-16-14(15(2)3)13-10-7-8-11-13/h9,12-13H,4-8,10-11H2,1-3H3/q+1/b12-9-
InChIKeyKPPZBRSUQXFULR-XFXZXTDPSA-N
MW240.44 g/mol
LogP4.28
Rot. Bonds5

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

[cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium (PubChem CID 134919586) has the molecular formula C14H26NS+ and a molecular weight of 240.44 g/mol. Its IUPAC name is [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium.

Molecular Properties

Compound Name[cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium
PubChem CID134919586
Molecular FormulaC14H26NS+
Molecular Weight240.44 g/mol
Exact Mass240.18
IUPAC Name[cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium
SMILESCCCC/C=C\SC(C1CCCC1)=[N+](C)C
InChIInChI=1S/C14H26NS/c1-4-5-6-9-12-16-14(15(2)3)13-10-7-8-11-13/h9,12-13H,4-8,10-11H2,1-3H3/q+1/b12-9-
InChIKeyKPPZBRSUQXFULR-XFXZXTDPSA-N
XLogP4.28
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 54.28
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

[cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate
CID 134919585
N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine
CID 163695829
Dimethyl-(3-methyl-1-prop-2-enylsulfanylpent-4-enylidene)azanium
CID 176089133
[cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium
CID 11256323

Frequently Asked Questions

What is the IUPAC name of [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium?
The IUPAC name of [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium (CID 134919586) is [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium.
What is the SMILES notation for [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium?
The canonical SMILES for [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium is CCCC/C=C\SC(C1CCCC1)=[N+](C)C.
What is the InChIKey of [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium?
The InChIKey is KPPZBRSUQXFULR-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H26NS/c1-4-5-6-9-12-16-14(15(2)3)13-10-7-8-11-13/h9,12-13H,4-8,10-11H2,1-3H3/q+1/b12-9-.
What are the key properties of [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium?
[cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium has a molecular weight of 240.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium is sourced from PubChem (CID 134919586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).