2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine

C18H22N2O2S2 — CID 102542110

IUPAC2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCCSc1ncccc1C1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O2S2/c1-3-23-18-16(6-4-12-19-18)17-7-5-13-20(17)24(21,22)15-10-8-14(2)9-11-15/h4,6,8-12,17H,3,5,7,13H2,1-2H3
InChIKeyUEVFXENYBWXCCX-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.03
Rot. Bonds5

About 2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine

2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 102542110) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID102542110
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC Name2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCCSc1ncccc1C1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O2S2/c1-3-23-18-16(6-4-12-19-18)17-7-5-13-20(17)24(21,22)15-10-8-14(2)9-11-15/h4,6,8-12,17H,3,5,7,13H2,1-2H3
InChIKeyUEVFXENYBWXCCX-UHFFFAOYSA-N
XLogP4.03
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102539403
2-ethylsulfanyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102542078
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102539084
tert-butyl N-ethyl-N-[3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-pyridinyl]carbamate
CID 102540918
6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine
CID 102542824
(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500797
3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine
CID 102542119

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine (CID 102542110) is 2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine is CCSc1ncccc1C1CCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is UEVFXENYBWXCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c1-3-23-18-16(6-4-12-19-18)17-7-5-13-20(17)24(21,22)15-10-8-14(2)9-11-15/h4,6,8-12,17H,3,5,7,13H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 362.52 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 102542110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).