1-(1-sulfanylprop-2-enyl)piperidine-4-thiol

C8H15NS2 — CID 87087020

IUPAC1-(1-sulfanylprop-2-enyl)piperidine-4-thiol
SMILESC=CC(S)N1CCC(S)CC1
InChIInChI=1S/C8H15NS2/c1-2-8(11)9-5-3-7(10)4-6-9/h2,7-8,10-11H,1,3-6H2
InChIKeyWCTXAFPLMAGTOP-UHFFFAOYSA-N
MW189.35 g/mol
LogP1.82
Rot. Bonds2

About 1-(1-sulfanylprop-2-enyl)piperidine-4-thiol

1-(1-sulfanylprop-2-enyl)piperidine-4-thiol (PubChem CID 87087020) has the molecular formula C8H15NS2 and a molecular weight of 189.35 g/mol. Its IUPAC name is 1-(1-sulfanylprop-2-enyl)piperidine-4-thiol.

Molecular Properties

Compound Name1-(1-sulfanylprop-2-enyl)piperidine-4-thiol
PubChem CID87087020
Molecular FormulaC8H15NS2
Molecular Weight189.35 g/mol
Exact Mass189.06
IUPAC Name1-(1-sulfanylprop-2-enyl)piperidine-4-thiol
SMILESC=CC(S)N1CCC(S)CC1
InChIInChI=1S/C8H15NS2/c1-2-8(11)9-5-3-7(10)4-6-9/h2,7-8,10-11H,1,3-6H2
InChIKeyWCTXAFPLMAGTOP-UHFFFAOYSA-N
XLogP1.82
TPSA3.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(1-sulfanylprop-2-enyl)piperidine-4-thiol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-sulfanylprop-2-enyl)piperidine-4-thiol?
The IUPAC name of 1-(1-sulfanylprop-2-enyl)piperidine-4-thiol (CID 87087020) is 1-(1-sulfanylprop-2-enyl)piperidine-4-thiol.
What is the SMILES notation for 1-(1-sulfanylprop-2-enyl)piperidine-4-thiol?
The canonical SMILES for 1-(1-sulfanylprop-2-enyl)piperidine-4-thiol is C=CC(S)N1CCC(S)CC1.
What is the InChIKey of 1-(1-sulfanylprop-2-enyl)piperidine-4-thiol?
The InChIKey is WCTXAFPLMAGTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS2/c1-2-8(11)9-5-3-7(10)4-6-9/h2,7-8,10-11H,1,3-6H2.
What are the key properties of 1-(1-sulfanylprop-2-enyl)piperidine-4-thiol?
1-(1-sulfanylprop-2-enyl)piperidine-4-thiol has a molecular weight of 189.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-sulfanylprop-2-enyl)piperidine-4-thiol is sourced from PubChem (CID 87087020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).