2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide

C15H22N2O2S — CID 119444007

IUPAC2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide
SMILESCOc1cccc(SCC(=O)N(C)C2CCNCC2)c1
InChIInChI=1S/C15H22N2O2S/c1-17(12-6-8-16-9-7-12)15(18)11-20-14-5-3-4-13(10-14)19-2/h3-5,10,12,16H,6-9,11H2,1-2H3
InChIKeyMYAPWLWHHQPKQM-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.00
Rot. Bonds5

About 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide

2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide (PubChem CID 119444007) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide
PubChem CID119444007
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide
SMILESCOc1cccc(SCC(=O)N(C)C2CCNCC2)c1
InChIInChI=1S/C15H22N2O2S/c1-17(12-6-8-16-9-7-12)15(18)11-20-14-5-3-4-13(10-14)19-2/h3-5,10,12,16H,6-9,11H2,1-2H3
InChIKeyMYAPWLWHHQPKQM-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442580
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119554487
2-(3-methoxyphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441734
N-(1-benzylpyrrolidin-3-yl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 131901045
2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453540
N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide
CID 104590798
N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide
CID 66354915
N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442046
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
2-(2-chlorophenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442906
N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 97260253
1-(3-methoxyphenyl)-2-[methyl(piperidin-4-yl)amino]ethanol
CID 81133297

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide (CID 119444007) is 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide is COc1cccc(SCC(=O)N(C)C2CCNCC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide?
The InChIKey is MYAPWLWHHQPKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-17(12-6-8-16-9-7-12)15(18)11-20-14-5-3-4-13(10-14)19-2/h3-5,10,12,16H,6-9,11H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide?
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide has a molecular weight of 294.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide is sourced from PubChem (CID 119444007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).