2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone

C15H21NO2S — CID 78791464

IUPAC2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(SCC(=O)N2CCCCC2C)cc1
InChIInChI=1S/C15H21NO2S/c1-12-5-3-4-10-16(12)15(17)11-19-14-8-6-13(18-2)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyFTARIFUHEOOURQ-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.19
Rot. Bonds4

About 2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone

2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 78791464) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID78791464
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(SCC(=O)N2CCCCC2C)cc1
InChIInChI=1S/C15H21NO2S/c1-12-5-3-4-10-16(12)15(17)11-19-14-8-6-13(18-2)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyFTARIFUHEOOURQ-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
1-[2-(4-methoxyphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 43092846
1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone
CID 58762545
2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 2617372
1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 119175892
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone
CID 134049356
2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1132086
2-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 3138822
2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1172936
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone
CID 79029321
1-(4-methoxyphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7888586

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone (CID 78791464) is 2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone is COc1ccc(SCC(=O)N2CCCCC2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is FTARIFUHEOOURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-12-5-3-4-10-16(12)15(17)11-19-14-8-6-13(18-2)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone?
2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 279.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 78791464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).