2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine

C21H27NO3S — CID 155269120

IUPAC2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine
SMILESCOc1ccccc1CCC1CCCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H27NO3S/c1-17-10-14-20(15-11-17)26(23,24)22-16-6-5-8-19(22)13-12-18-7-3-4-9-21(18)25-2/h3-4,7,9-11,14-15,19H,5-6,8,12-13,16H2,1-2H3
InChIKeyYEHPDUPEULXKAR-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.18
Rot. Bonds6

About 2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine

2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 155269120) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID155269120
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC Name2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine
SMILESCOc1ccccc1CCC1CCCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H27NO3S/c1-17-10-14-20(15-11-17)26(23,24)22-16-6-5-8-19(22)13-12-18-7-3-4-9-21(18)25-2/h3-4,7,9-11,14-15,19H,5-6,8,12-13,16H2,1-2H3
InChIKeyYEHPDUPEULXKAR-UHFFFAOYSA-N
XLogP4.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[2-(2-methoxyphenyl)ethyl]oxamide
CID 16829673
(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500797
1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine
CID 142470254
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42065114
N'-(2-methoxyphenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 16829706
2-butyl-1-(4-methylphenyl)sulfonylpiperidine
CID 177451088
(2R)-2-(iodomethyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 15038479
N'-(2-methoxyphenyl)-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 16829877
N'-(2-methoxyphenyl)-N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222495
(2R)-1-(4-methylphenyl)sulfonyl-2-(3-phenylmethoxypropyl)piperidine
CID 134838395
methyl 2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetate
CID 61009164
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine (CID 155269120) is 2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine is COc1ccccc1CCC1CCCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is YEHPDUPEULXKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-17-10-14-20(15-11-17)26(23,24)22-16-6-5-8-19(22)13-12-18-7-3-4-9-21(18)25-2/h3-4,7,9-11,14-15,19H,5-6,8,12-13,16H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine?
2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 373.52 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 155269120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).