(4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione

C11H15NS — CID 143260152

IUPAC(4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione
SMILESC=C1C(=S)NCC/C1=C/C=C\CC
InChIInChI=1S/C11H15NS/c1-3-4-5-6-10-7-8-12-11(13)9(10)2/h4-6H,2-3,7-8H2,1H3,(H,12,13)/b5-4-,10-6-
InChIKeyBCEPHKBJKABBEJ-ARSRRCBKSA-N
MW193.31 g/mol
LogP2.76
Rot. Bonds2

About (4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione

(4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione (PubChem CID 143260152) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is (4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione.

Molecular Properties

Compound Name(4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione
PubChem CID143260152
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name(4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione
SMILESC=C1C(=S)NCC/C1=C/C=C\CC
InChIInChI=1S/C11H15NS/c1-3-4-5-6-10-7-8-12-11(13)9(10)2/h4-6H,2-3,7-8H2,1H3,(H,12,13)/b5-4-,10-6-
InChIKeyBCEPHKBJKABBEJ-ARSRRCBKSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione 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 (4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione?
The IUPAC name of (4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione (CID 143260152) is (4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione.
What is the SMILES notation for (4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione?
The canonical SMILES for (4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione is C=C1C(=S)NCC/C1=C/C=C\CC.
What is the InChIKey of (4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione?
The InChIKey is BCEPHKBJKABBEJ-ARSRRCBKSA-N. The full InChI is InChI=1S/C11H15NS/c1-3-4-5-6-10-7-8-12-11(13)9(10)2/h4-6H,2-3,7-8H2,1H3,(H,12,13)/b5-4-,10-6-.
What are the key properties of (4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione?
(4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione has a molecular weight of 193.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-methylidene-4-[(Z)-pent-2-enylidene]piperidine-2-thione is sourced from PubChem (CID 143260152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).