5-ethyl-1-methyl-4-phenylsulfanyl-3,4-dihydro-2H-pyridine

C14H19NS — CID 12581461

IUPAC5-ethyl-1-methyl-4-phenylsulfanyl-3,4-dihydro-2H-pyridine
SMILESCCC1=CN(C)CCC1Sc1ccccc1
InChIInChI=1S/C14H19NS/c1-3-12-11-15(2)10-9-14(12)16-13-7-5-4-6-8-13/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyNJTQSYJQLOIVFF-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.78
Rot. Bonds3

About 5-ethyl-1-methyl-4-phenylsulfanyl-3,4-dihydro-2H-pyridine

5-ethyl-1-methyl-4-phenylsulfanyl-3,4-dihydro-2H-pyridine (PubChem CID 12581461) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 5-ethyl-1-methyl-4-phenylsulfanyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-ethyl-1-methyl-4-phenylsulfanyl-3,4-dihydro-2H-pyridine
PubChem CID12581461
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name5-ethyl-1-methyl-4-phenylsulfanyl-3,4-dihydro-2H-pyridine
SMILESCCC1=CN(C)CCC1Sc1ccccc1
InChIInChI=1S/C14H19NS/c1-3-12-11-15(2)10-9-14(12)16-13-7-5-4-6-8-13/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyNJTQSYJQLOIVFF-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-1-methyl-4-phenylsulfanyl-3,4-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 5-ethyl-1-methyl-4-phenylsulfanyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 5-ethyl-1-methyl-4-phenylsulfanyl-3,4-dihydro-2H-pyridine (CID 12581461) is 5-ethyl-1-methyl-4-phenylsulfanyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5-ethyl-1-methyl-4-phenylsulfanyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5-ethyl-1-methyl-4-phenylsulfanyl-3,4-dihydro-2H-pyridine is CCC1=CN(C)CCC1Sc1ccccc1.
What is the InChIKey of 5-ethyl-1-methyl-4-phenylsulfanyl-3,4-dihydro-2H-pyridine?
The InChIKey is NJTQSYJQLOIVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-3-12-11-15(2)10-9-14(12)16-13-7-5-4-6-8-13/h4-8,11,14H,3,9-10H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-4-phenylsulfanyl-3,4-dihydro-2H-pyridine?
5-ethyl-1-methyl-4-phenylsulfanyl-3,4-dihydro-2H-pyridine has a molecular weight of 233.38 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-4-phenylsulfanyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 12581461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).