N-ethyl-n-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclopentanecarboxamide (CED0241411)

Record Information

Version

1.0

Creation Date

2026-08-28 03:16:11 UTC

Update Date

2026-08-28 03:16:11 UTC

SynCED ID

CED0241411

Secondary Accession Numbers

CHEM285621

Identification

Common Name

N-ethyl-n-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclopentanecarboxamide

Class

Small Molecule

Description

N-ethyl-n-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]cyclopentanecarboxamide belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. It has the chemical formula C13H23N5OS and an average molecular weight of 297.42 g/mol. This compound is further classified as part of the organosulfur compounds superclass.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₃H₂₃N₅OS

Average Molecular Mass

Not Available

Monoisotopic Mass

297.162 g/mol

CAS Registry Number

80085-45-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCN(CCCSC1=NN=NN1C)C(=O)C2CCCC2

InChI Identifier

InChI=1S/C13H23N5OS/c1-3-18(12(19)11-7-4-5-8-11)9-6-10-20-13-14-15-16-17(13)2/h11H,3-10H2,1-2H3

InChI Key

ILQSPLOAWFZQTB-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
769.0 Log mg/kg [430:1400]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.253 Low confidence Statistical Significance 0.3224 Supporting Reference Compounds 953 E-value 2509.78
Click to view 3D structure	Alpha-1A adrenergic receptor	P35348	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.253 Low confidence Statistical Significance 0.185 Supporting Reference Compounds 376 E-value 1440.6
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.253 Low confidence Statistical Significance 0.3198 Supporting Reference Compounds 524 E-value 2489.38
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.253 Low confidence Statistical Significance 0.3241 Supporting Reference Compounds 565 E-value 2523.33
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.253 Low confidence Statistical Significance 0.356 Supporting Reference Compounds 541 E-value 2771.2
Click to view 3D structure	Alpha-1B adrenergic receptor	P35368	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.253 Low confidence Statistical Significance 0.2592 Supporting Reference Compounds 298 E-value 2017.62
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.247 Low confidence Statistical Significance 0.5609 Supporting Reference Compounds 955 E-value 4366.95
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.241 Low confidence Statistical Significance 0.6425 Supporting Reference Compounds 1029 E-value 5001.73
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.241 Low confidence Statistical Significance 0.6463 Supporting Reference Compounds 1017 E-value 5031.47
Click to view 3D structure	MAP/microtubule affinity-regulating kinase 3	P27448	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.241 Low confidence Statistical Significance 0.5593 Supporting Reference Compounds 627 E-value 4354.5
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.241 Low confidence Statistical Significance 0.7351 Supporting Reference Compounds 1660 E-value 5722.77
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.241 Low confidence Statistical Significance 0.6937 Supporting Reference Compounds 1022 E-value 5400.4
Click to view 3D structure	Neuropeptide S receptor	P0C0L6	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.218 Low confidence Statistical Significance 0.0118 Supporting Reference Compounds 1 E-value 91.5507
Click to view 3D structure	Tyrosine-protein kinase Lyn	P07948	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.241 Low confidence Statistical Significance 0.6118 Supporting Reference Compounds 666 E-value 4762.5
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.224 Low confidence Statistical Significance 0.8614 Supporting Reference Compounds 1498 E-value 6706.17
Click to view 3D structure	Hepatocyte growth factor receptor	P08581	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.241 Low confidence Statistical Significance 0.6812 Supporting Reference Compounds 934 E-value 5303.17
Click to view 3D structure	Ephrin type-A receptor 2	P29317	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.241 Low confidence Statistical Significance 0.6101 Supporting Reference Compounds 611 E-value 4749.97
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.241 Low confidence Statistical Significance 0.7516 Supporting Reference Compounds 1301 E-value 5851.15
Click to view 3D structure	Tyrosine-protein kinase ITK/TSK	Q08881	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.241 Low confidence Statistical Significance 0.5844 Supporting Reference Compounds 570 E-value 4549.35
Click to view 3D structure	Fibroblast growth factor receptor 3	P22607	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.241 Low confidence Statistical Significance 0.5997 Supporting Reference Compounds 616 E-value 4668.54
Click to view 3D structure	Aurora kinase A	O14965	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.241 Low confidence Statistical Significance 0.72 Supporting Reference Compounds 996 E-value 5604.83
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.247 Low confidence Statistical Significance 0.6452 Supporting Reference Compounds 686 E-value 5022.75
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.224 Low confidence Statistical Significance 0.6875 Supporting Reference Compounds 1103 E-value 5352.37
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.241 Low confidence Statistical Significance 0.7343 Supporting Reference Compounds 961 E-value 5716.31
Click to view 3D structure	Non-receptor tyrosine-protein kinase TYK2	P29597	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.241 Low confidence Statistical Significance 0.665 Supporting Reference Compounds 657 E-value 5177.36