4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine

C12H19NS — CID 142028573

IUPAC4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine
SMILESC=C/C=C(\C=C)CSC1CCNCC1
InChIInChI=1S/C12H19NS/c1-3-5-11(4-2)10-14-12-6-8-13-9-7-12/h3-5,12-13H,1-2,6-10H2/b11-5+
InChIKeyCGDPONSZMTYFGR-VZUCSPMQSA-N
MW209.36 g/mol
LogP2.77
Rot. Bonds5

About 4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine

4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine (PubChem CID 142028573) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine.

Molecular Properties

Compound Name4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine
PubChem CID142028573
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine
SMILESC=C/C=C(\C=C)CSC1CCNCC1
InChIInChI=1S/C12H19NS/c1-3-5-11(4-2)10-14-12-6-8-13-9-7-12/h3-5,12-13H,1-2,6-10H2/b11-5+
InChIKeyCGDPONSZMTYFGR-VZUCSPMQSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-Fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine
CID 142816289
4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine
CID 123443076
2-Buta-1,3-dien-2-ylthiomorpholine
CID 123491047
2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine
CID 129089016
4-[Cyclohexa-1,5-dien-1-yl(2,3-dihydrothiophen-2-yl)methylidene]piperidine
CID 141793653
3,4-Bis(ethenyl)-1-thia-8-azaspiro[4.5]dec-3-ene
CID 141834193
4-[(1Z)-buta-1,3-dienyl]-3-methyl-2-thia-8-azaspiro[4.5]dec-3-ene;ethane
CID 141908667
ethane;4-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylethyl]piperidine
CID 142021682
4-[(2Z)-2-(1-chloroethenyl)penta-2,4-dienyl]sulfanylpiperidine
CID 142028346
4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine
CID 142139236
4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene
CID 142139242
ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene
CID 142139244

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine?
The IUPAC name of 4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine (CID 142028573) is 4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine.
What is the SMILES notation for 4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine?
The canonical SMILES for 4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine is C=C/C=C(\C=C)CSC1CCNCC1.
What is the InChIKey of 4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine?
The InChIKey is CGDPONSZMTYFGR-VZUCSPMQSA-N. The full InChI is InChI=1S/C12H19NS/c1-3-5-11(4-2)10-14-12-6-8-13-9-7-12/h3-5,12-13H,1-2,6-10H2/b11-5+.
What are the key properties of 4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine?
4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine has a molecular weight of 209.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine is sourced from PubChem (CID 142028573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).