4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine

C15H25NS — CID 126494315

IUPAC4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine
SMILESCCCN1CC=C(/C(C)=C/C=C\CSC)CC1
InChIInChI=1S/C15H25NS/c1-4-10-16-11-8-15(9-12-16)14(2)7-5-6-13-17-3/h5-8H,4,9-13H2,1-3H3/b6-5-,14-7+
InChIKeySVYIVULSEBUOLO-NTBKVEBNSA-N
MW251.44 g/mol
LogP3.89
Rot. Bonds6

About 4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine

4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine (PubChem CID 126494315) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine
PubChem CID126494315
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine
SMILESCCCN1CC=C(/C(C)=C/C=C\CSC)CC1
InChIInChI=1S/C15H25NS/c1-4-10-16-11-8-15(9-12-16)14(2)7-5-6-13-17-3/h5-8H,4,9-13H2,1-3H3/b6-5-,14-7+
InChIKeySVYIVULSEBUOLO-NTBKVEBNSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine (CID 126494315) is 4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine is CCCN1CC=C(/C(C)=C/C=C\CSC)CC1.
What is the InChIKey of 4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine?
The InChIKey is SVYIVULSEBUOLO-NTBKVEBNSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-10-16-11-8-15(9-12-16)14(2)7-5-6-13-17-3/h5-8H,4,9-13H2,1-3H3/b6-5-,14-7+.
What are the key properties of 4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine?
4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine has a molecular weight of 251.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 126494315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).