2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine

C22H29N3O2S — CID 102543030

IUPAC2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine
SMILESCc1ccc(S(=O)(=O)N2CCCCC2c2ccc(N3CCCC3)nc2C)cc1
InChIInChI=1S/C22H29N3O2S/c1-17-8-10-19(11-9-17)28(26,27)25-16-4-3-7-21(25)20-12-13-22(23-18(20)2)24-14-5-6-15-24/h8-13,21H,3-7,14-16H2,1-2H3
InChIKeyYWEQSIXWPXZSLO-UHFFFAOYSA-N
MW399.56 g/mol
LogP4.21
Rot. Bonds4

About 2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine

2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine (PubChem CID 102543030) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine
PubChem CID102543030
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine
SMILESCc1ccc(S(=O)(=O)N2CCCCC2c2ccc(N3CCCC3)nc2C)cc1
InChIInChI=1S/C22H29N3O2S/c1-17-8-10-19(11-9-17)28(26,27)25-16-4-3-7-21(25)20-12-13-22(23-18(20)2)24-14-5-6-15-24/h8-13,21H,3-7,14-16H2,1-2H3
InChIKeyYWEQSIXWPXZSLO-UHFFFAOYSA-N
XLogP4.21
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine 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

4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine
CID 124500244
6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine
CID 102542824
4-[4-methyl-5-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]morpholine
CID 124500065
6-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-1H-pyridin-2-one
CID 102542654
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
6-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-1H-pyridine-2-thione
CID 102542750
2-(2,5-dimethylpyrrol-1-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102541906
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500797
2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102539403
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine?
The IUPAC name of 2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine (CID 102543030) is 2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine is Cc1ccc(S(=O)(=O)N2CCCCC2c2ccc(N3CCCC3)nc2C)cc1.
What is the InChIKey of 2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine?
The InChIKey is YWEQSIXWPXZSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-17-8-10-19(11-9-17)28(26,27)25-16-4-3-7-21(25)20-12-13-22(23-18(20)2)24-14-5-6-15-24/h8-13,21H,3-7,14-16H2,1-2H3.
What are the key properties of 2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine?
2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine has a molecular weight of 399.56 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 102543030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).