ethenyl piperidine-1-carbodithioate

C8H13NS2 — CID 133083677

IUPACethenyl piperidine-1-carbodithioate
SMILESC=CSC(=S)N1CCCCC1
InChIInChI=1S/C8H13NS2/c1-2-11-8(10)9-6-4-3-5-7-9/h2H,1,3-7H2
InChIKeyZWFBMOCQRNZTDG-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.63
Rot. Bonds1

About ethenyl piperidine-1-carbodithioate

ethenyl piperidine-1-carbodithioate (PubChem CID 133083677) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is ethenyl piperidine-1-carbodithioate.

Molecular Properties

Compound Nameethenyl piperidine-1-carbodithioate
PubChem CID133083677
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Nameethenyl piperidine-1-carbodithioate
SMILESC=CSC(=S)N1CCCCC1
InChIInChI=1S/C8H13NS2/c1-2-11-8(10)9-6-4-3-5-7-9/h2H,1,3-7H2
InChIKeyZWFBMOCQRNZTDG-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Ethyl piperidine-1-carbodithioate
CID 15668006
Prop-2-enyl piperidine-1-carbodithioate
CID 15668008
1-(2-Ethenylsulfanylethyl)piperidine
CID 154181212
1-(2H-1,3-Dithiol-2-yl)piperidine
CID 14269947
2-Sulfanylethyl piperidine-1-carbodithioate
CID 85828359

Frequently Asked Questions

What is the IUPAC name of ethenyl piperidine-1-carbodithioate?
The IUPAC name of ethenyl piperidine-1-carbodithioate (CID 133083677) is ethenyl piperidine-1-carbodithioate.
What is the SMILES notation for ethenyl piperidine-1-carbodithioate?
The canonical SMILES for ethenyl piperidine-1-carbodithioate is C=CSC(=S)N1CCCCC1.
What is the InChIKey of ethenyl piperidine-1-carbodithioate?
The InChIKey is ZWFBMOCQRNZTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-2-11-8(10)9-6-4-3-5-7-9/h2H,1,3-7H2.
What are the key properties of ethenyl piperidine-1-carbodithioate?
ethenyl piperidine-1-carbodithioate has a molecular weight of 187.33 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl piperidine-1-carbodithioate is sourced from PubChem (CID 133083677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).