(3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone

C11H13NOS2 — CID 115385690

IUPAC(3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone
SMILESCC1SCCSC1C(=O)c1cccnc1
InChIInChI=1S/C11H13NOS2/c1-8-11(15-6-5-14-8)10(13)9-3-2-4-12-7-9/h2-4,7-8,11H,5-6H2,1H3
InChIKeyQLNVCDXROUKJJG-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.50
Rot. Bonds2

About (3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone

(3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone (PubChem CID 115385690) has the molecular formula C11H13NOS2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone
PubChem CID115385690
Molecular FormulaC11H13NOS2
Molecular Weight239.36 g/mol
Exact Mass239.04
IUPAC Name(3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone
SMILESCC1SCCSC1C(=O)c1cccnc1
InChIInChI=1S/C11H13NOS2/c1-8-11(15-6-5-14-8)10(13)9-3-2-4-12-7-9/h2-4,7-8,11H,5-6H2,1H3
InChIKeyQLNVCDXROUKJJG-UHFFFAOYSA-N
XLogP2.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone 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

(3-ethyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone
CID 115385930
(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone
CID 103344738
(3-methylcyclopentyl)-pyridin-3-ylmethanone
CID 65402744
3-(pyridine-3-carbonyl)bicyclo[3.2.1]octane-2,4-dione
CID 58332847
pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone
CID 164649275
oxan-4-yl(pyridin-3-yl)methanone
CID 11321445
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
CID 46736476
N-sulfanylidenepyridine-3-carboxamide
CID 23289350
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone?
The IUPAC name of (3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone (CID 115385690) is (3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone is CC1SCCSC1C(=O)c1cccnc1.
What is the InChIKey of (3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone?
The InChIKey is QLNVCDXROUKJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS2/c1-8-11(15-6-5-14-8)10(13)9-3-2-4-12-7-9/h2-4,7-8,11H,5-6H2,1H3.
What are the key properties of (3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone?
(3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone has a molecular weight of 239.36 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 115385690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).