2-methyl-3-pyridin-3-ylthiolan-3-ol

C10H13NOS — CID 112708905

IUPAC2-methyl-3-pyridin-3-ylthiolan-3-ol
SMILESCC1SCCC1(O)c1cccnc1
InChIInChI=1S/C10H13NOS/c1-8-10(12,4-6-13-8)9-3-2-5-11-7-9/h2-3,5,7-8,12H,4,6H2,1H3
InChIKeyXMYRITDKCFWQPH-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.79
Rot. Bonds1

About 2-methyl-3-pyridin-3-ylthiolan-3-ol

2-methyl-3-pyridin-3-ylthiolan-3-ol (PubChem CID 112708905) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-methyl-3-pyridin-3-ylthiolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-pyridin-3-ylthiolan-3-ol
PubChem CID112708905
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-methyl-3-pyridin-3-ylthiolan-3-ol
SMILESCC1SCCC1(O)c1cccnc1
InChIInChI=1S/C10H13NOS/c1-8-10(12,4-6-13-8)9-3-2-5-11-7-9/h2-3,5,7-8,12H,4,6H2,1H3
InChIKeyXMYRITDKCFWQPH-UHFFFAOYSA-N
XLogP1.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-pyridin-3-ylthiolan-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

2-methyl-1-pyridin-3-ylcyclopentan-1-ol
CID 65049879
(2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol
CID 124547206
(2R,3S)-3-(3,5-dibromophenyl)-2-methylthiolan-3-ol
CID 125426605
(2R,3S)-3-(2-fluorophenyl)-2-methylthiolan-3-ol
CID 124681288
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol
CID 103564024
ethane;3-(1-methylcyclobutyl)pyridine
CID 142353863
2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)thiolan-3-ol
CID 130834253
2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol
CID 79951361
3-(4-cyclobutylphenyl)-2-methylthian-3-ol
CID 116505414
(3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone
CID 115385690
(2-methyl-2-pyridin-3-ylcyclopropyl)methanol
CID 81358842

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyridin-3-ylthiolan-3-ol?
The IUPAC name of 2-methyl-3-pyridin-3-ylthiolan-3-ol (CID 112708905) is 2-methyl-3-pyridin-3-ylthiolan-3-ol.
What is the SMILES notation for 2-methyl-3-pyridin-3-ylthiolan-3-ol?
The canonical SMILES for 2-methyl-3-pyridin-3-ylthiolan-3-ol is CC1SCCC1(O)c1cccnc1.
What is the InChIKey of 2-methyl-3-pyridin-3-ylthiolan-3-ol?
The InChIKey is XMYRITDKCFWQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-8-10(12,4-6-13-8)9-3-2-5-11-7-9/h2-3,5,7-8,12H,4,6H2,1H3.
What are the key properties of 2-methyl-3-pyridin-3-ylthiolan-3-ol?
2-methyl-3-pyridin-3-ylthiolan-3-ol has a molecular weight of 195.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyridin-3-ylthiolan-3-ol is sourced from PubChem (CID 112708905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).