4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine

C16H21NS — CID 129126917

IUPAC4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine
SMILESC=C/C=C\C(=C/C=C)CN1CC=C(SC=C)CC1
InChIInChI=1S/C16H21NS/c1-4-7-9-15(8-5-2)14-17-12-10-16(11-13-17)18-6-3/h4-10H,1-3,11-14H2/b9-7-,15-8+
InChIKeyDILVPXXDUOWWJV-CXVZIJRBSA-N
MW259.42 g/mol
LogP4.31
Rot. Bonds7

About 4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine

4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine (PubChem CID 129126917) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine
PubChem CID129126917
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine
SMILESC=C/C=C\C(=C/C=C)CN1CC=C(SC=C)CC1
InChIInChI=1S/C16H21NS/c1-4-7-9-15(8-5-2)14-17-12-10-16(11-13-17)18-6-3/h4-10H,1-3,11-14H2/b9-7-,15-8+
InChIKeyDILVPXXDUOWWJV-CXVZIJRBSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine 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 4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine (CID 129126917) is 4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine is C=C/C=C\C(=C/C=C)CN1CC=C(SC=C)CC1.
What is the InChIKey of 4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine?
The InChIKey is DILVPXXDUOWWJV-CXVZIJRBSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-7-9-15(8-5-2)14-17-12-10-16(11-13-17)18-6-3/h4-10H,1-3,11-14H2/b9-7-,15-8+.
What are the key properties of 4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine?
4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine has a molecular weight of 259.42 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 129126917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).