1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine

C15H18ClNS — CID 142218296

IUPAC1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine
SMILESC=CC1=C(SC)CCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C15H18ClNS/c1-3-12-10-17(9-8-15(12)18-2)11-13-6-4-5-7-14(13)16/h3-7H,1,8-11H2,2H3
InChIKeyVZIZEDALAVANFL-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.35
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine

1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine (PubChem CID 142218296) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine
PubChem CID142218296
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine
SMILESC=CC1=C(SC)CCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C15H18ClNS/c1-3-12-10-17(9-8-15(12)18-2)11-13-6-4-5-7-14(13)16/h3-7H,1,8-11H2,2H3
InChIKeyVZIZEDALAVANFL-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-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 1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine (CID 142218296) is 1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine is C=CC1=C(SC)CCN(Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine?
The InChIKey is VZIZEDALAVANFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-3-12-10-17(9-8-15(12)18-2)11-13-6-4-5-7-14(13)16/h3-7H,1,8-11H2,2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine?
1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine has a molecular weight of 279.84 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-ethenyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 142218296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).