1-methyl-4-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine

C12H17NS — CID 14956346

IUPAC1-methyl-4-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(CCc2cccs2)CC1
InChIInChI=1S/C12H17NS/c1-13-8-6-11(7-9-13)4-5-12-3-2-10-14-12/h2-3,6,10H,4-5,7-9H2,1H3
InChIKeyKUNCMCSOGUPSFB-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.94
Rot. Bonds3

About 1-methyl-4-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine

1-methyl-4-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine (PubChem CID 14956346) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-methyl-4-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine
PubChem CID14956346
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name1-methyl-4-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(CCc2cccs2)CC1
InChIInChI=1S/C12H17NS/c1-13-8-6-11(7-9-13)4-5-12-3-2-10-14-12/h2-3,6,10H,4-5,7-9H2,1H3
InChIKeyKUNCMCSOGUPSFB-UHFFFAOYSA-N
XLogP2.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(2-thiophen-2-ylethyl)-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

Related Compounds

Tipepidine
CID 5484
Dimethylthiambutene
CID 10668
Diethylthiambutene
CID 6833
Ethylmethylthiambutene
CID 46424
1-(1-Methyl-3,3-di-2-thienyl-2-propen-1-yl)piperidine
CID 3041503
1,2,3,6-Tetrahydro-1-[1-(2-thienyl)cyclohexyl]pyridine
CID 399892
1-(3-Phenyl-cyclohex-3-enylmethyl)-4-thiophen-2-yl-1,2,3,6-tetrahydro-pyridine
CID 9974231
Dipropyl-(4,5,6,7-tetrahydro-benzo[b]thiophen-6-yl)-amine
CID 10130933
Dipropyl-(4,5,6,7-tetrahydro-benzo[b]thiophen-5-yl)-amine
CID 10421679
Dipropyl-((1S,2S)-2-thiophen-2-yl-cyclopropyl)-amine
CID 10609150
Dipropyl-((1R,2R)-2-thiophen-2-yl-cyclopropyl)-amine
CID 10632876
Dipropyl-(4,5,6,7-tetrahydro-benzo[b]thiophen-5-ylmethyl)-amine
CID 10879566

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine (CID 14956346) is 1-methyl-4-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine is CN1CC=C(CCc2cccs2)CC1.
What is the InChIKey of 1-methyl-4-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is KUNCMCSOGUPSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-13-8-6-11(7-9-13)4-5-12-3-2-10-14-12/h2-3,6,10H,4-5,7-9H2,1H3.
What are the key properties of 1-methyl-4-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine?
1-methyl-4-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 207.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 14956346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).