(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine

C19H23NO3S — CID 124500797

IUPAC(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
SMILESCOc1ccccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23NO3S/c1-15-10-12-16(13-11-15)24(21,22)20-14-6-5-8-18(20)17-7-3-4-9-19(17)23-2/h3-4,7,9-13,18H,5-6,8,14H2,1-2H3/t18-/m0/s1
InChIKeyKMWRSLCDYXHMCB-SFHVURJKSA-N
MW345.46 g/mol
LogP3.92
Rot. Bonds4

About (2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine

(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 124500797) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID124500797
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
SMILESCOc1ccccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23NO3S/c1-15-10-12-16(13-11-15)24(21,22)20-14-6-5-8-18(20)17-7-3-4-9-19(17)23-2/h3-4,7,9-13,18H,5-6,8,14H2,1-2H3/t18-/m0/s1
InChIKeyKMWRSLCDYXHMCB-SFHVURJKSA-N
XLogP3.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 155269120
(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51856148
2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102539403
4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1H-pyrazole
CID 92628820
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 53096226
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855972
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
6-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-1H-pyridin-2-one
CID 102542654

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of (2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine (CID 124500797) is (2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for (2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for (2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine is COc1ccccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is KMWRSLCDYXHMCB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15-10-12-16(13-11-15)24(21,22)20-14-6-5-8-18(20)17-7-3-4-9-19(17)23-2/h3-4,7,9-13,18H,5-6,8,14H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine?
(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 345.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 124500797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).