3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine

C17H20ClN3O2S — CID 67508277

IUPAC3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine
SMILESCS(=O)(=O)CC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1
InChIInChI=1S/C17H20ClN3O2S/c1-24(22,23)12-13-7-10-21(11-8-13)16-6-5-14(18)17(20-16)15-4-2-3-9-19-15/h2-6,9,13H,7-8,10-12H2,1H3
InChIKeySGUFMILVUPZIQG-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.06
Rot. Bonds4

About 3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine

3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine (PubChem CID 67508277) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine
PubChem CID67508277
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine
SMILESCS(=O)(=O)CC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1
InChIInChI=1S/C17H20ClN3O2S/c1-24(22,23)12-13-7-10-21(11-8-13)16-6-5-14(18)17(20-16)15-4-2-3-9-19-15/h2-6,9,13H,7-8,10-12H2,1H3
InChIKeySGUFMILVUPZIQG-UHFFFAOYSA-N
XLogP3.06
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine 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 3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine?
The IUPAC name of 3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine (CID 67508277) is 3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine.
What is the SMILES notation for 3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine?
The canonical SMILES for 3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine is CS(=O)(=O)CC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1.
What is the InChIKey of 3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine?
The InChIKey is SGUFMILVUPZIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-24(22,23)12-13-7-10-21(11-8-13)16-6-5-14(18)17(20-16)15-4-2-3-9-19-15/h2-6,9,13H,7-8,10-12H2,1H3.
What are the key properties of 3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine?
3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine has a molecular weight of 365.89 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-pyridin-2-ylpyridine is sourced from PubChem (CID 67508277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).