oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone

C14H17NO2S — CID 126776319

IUPACoxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CCOC1)N1CC=C(c2cccs2)CC1
InChIInChI=1S/C14H17NO2S/c16-14(12-5-8-17-10-12)15-6-3-11(4-7-15)13-2-1-9-18-13/h1-3,9,12H,4-8,10H2
InChIKeyZDSRVHCOQIUVKN-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.40
Rot. Bonds2

About oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone

oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 126776319) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Nameoxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID126776319
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Nameoxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CCOC1)N1CC=C(c2cccs2)CC1
InChIInChI=1S/C14H17NO2S/c16-14(12-5-8-17-10-12)15-6-3-11(4-7-15)13-2-1-9-18-13/h1-3,9,12H,4-8,10H2
InChIKeyZDSRVHCOQIUVKN-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone 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 oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 126776319) is oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(C1CCOC1)N1CC=C(c2cccs2)CC1.
What is the InChIKey of oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is ZDSRVHCOQIUVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c16-14(12-5-8-17-10-12)15-6-3-11(4-7-15)13-2-1-9-18-13/h1-3,9,12H,4-8,10H2.
What are the key properties of oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 263.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 126776319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).