8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol

C14H19NO2S — CID 171960175

IUPAC8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol
SMILESO=S1C2CCC1CC(O)(CCc1ccccn1)C2
InChIInChI=1S/C14H19NO2S/c16-14(7-6-11-3-1-2-8-15-11)9-12-4-5-13(10-14)18(12)17/h1-3,8,12-13,16H,4-7,9-10H2
InChIKeyNQVAFSLANFGGKC-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.82
Rot. Bonds3

About 8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol

8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol (PubChem CID 171960175) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol
PubChem CID171960175
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol
SMILESO=S1C2CCC1CC(O)(CCc1ccccn1)C2
InChIInChI=1S/C14H19NO2S/c16-14(7-6-11-3-1-2-8-15-11)9-12-4-5-13(10-14)18(12)17/h1-3,8,12-13,16H,4-7,9-10H2
InChIKeyNQVAFSLANFGGKC-UHFFFAOYSA-N
XLogP1.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol 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

8-methyl-3-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960168
benzyl 3-hydroxy-3-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171960171
3-(pyridin-2-ylmethyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171959354
9H-fluoren-9-ylmethyl 3-hydroxy-3-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171960170
1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone
CID 106796916
1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921
2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid
CID 79428498
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
1-(pyridin-2-ylmethyl)cyclobutan-1-ol
CID 79081302
1-(aminomethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]cyclohexan-1-ol
CID 117039421
N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
CID 110661008
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288

Frequently Asked Questions

What is the IUPAC name of 8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol (CID 171960175) is 8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol is O=S1C2CCC1CC(O)(CCc1ccccn1)C2.
What is the InChIKey of 8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol?
The InChIKey is NQVAFSLANFGGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-14(7-6-11-3-1-2-8-15-11)9-12-4-5-13(10-14)18(12)17/h1-3,8,12-13,16H,4-7,9-10H2.
What are the key properties of 8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol?
8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol has a molecular weight of 265.38 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-3-(2-pyridin-2-ylethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171960175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).