2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine

C17H20N2O2S — CID 102539084

IUPAC2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCCC2c2ccc(C)nc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-13-5-9-16(10-6-13)22(20,21)19-11-3-4-17(19)15-8-7-14(2)18-12-15/h5-10,12,17H,3-4,11H2,1-2H3
InChIKeyZENCLMHRIHERJZ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.22
Rot. Bonds3

About 2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine

2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 102539084) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID102539084
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCCC2c2ccc(C)nc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-13-5-9-16(10-6-13)22(20,21)19-11-3-4-17(19)15-8-7-14(2)18-12-15/h5-10,12,17H,3-4,11H2,1-2H3
InChIKeyZENCLMHRIHERJZ-UHFFFAOYSA-N
XLogP3.22
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
N-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine
CID 102540039
2-ethylsulfanyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102542078
N-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine
CID 102539737
2-(2,5-dimethylpyrrol-1-yl)-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102541906
N-cyclobutyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridin-2-amine
CID 102540406
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
2-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102543313
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
N,N-diethyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 24678968
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 53096219
4-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 86952185

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine (CID 102539084) is 2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine is Cc1ccc(S(=O)(=O)N2CCCC2c2ccc(C)nc2)cc1.
What is the InChIKey of 2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is ZENCLMHRIHERJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13-5-9-16(10-6-13)22(20,21)19-11-3-4-17(19)15-8-7-14(2)18-12-15/h5-10,12,17H,3-4,11H2,1-2H3.
What are the key properties of 2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 316.43 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 102539084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).