1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine

C15H23NO3S — CID 66486200

IUPAC1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(C)C2)cc1C
InChIInChI=1S/C15H23NO3S/c1-4-19-15-8-7-14(10-13(15)3)20(17,18)16-9-5-6-12(2)11-16/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyWPUQOJIHEGPKQW-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.81
Rot. Bonds4

About 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine

1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine (PubChem CID 66486200) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine
PubChem CID66486200
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(C)C2)cc1C
InChIInChI=1S/C15H23NO3S/c1-4-19-15-8-7-14(10-13(15)3)20(17,18)16-9-5-6-12(2)11-16/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyWPUQOJIHEGPKQW-UHFFFAOYSA-N
XLogP2.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide
CID 97465851
1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2985818
[(3S)-1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7393870
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine
CID 72718850
4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260123
1-(2,5-diethoxyphenyl)sulfonyl-3-methylpiperidine
CID 66486191
(3S)-1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidine
CID 27211044
2-[(3S)-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892680
3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine
CID 90587901
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 3162885
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133155297
(3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine
CID 7574254

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine (CID 66486200) is 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine is CCOc1ccc(S(=O)(=O)N2CCCC(C)C2)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine?
The InChIKey is WPUQOJIHEGPKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-19-15-8-7-14(10-13(15)3)20(17,18)16-9-5-6-12(2)11-16/h7-8,10,12H,4-6,9,11H2,1-3H3.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine?
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine has a molecular weight of 297.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine is sourced from PubChem (CID 66486200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).