3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one

C14H19NO2S — CID 71995522

IUPAC3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one
SMILESCOc1ccccc1C(C)SC1CCN(C)C1=O
InChIInChI=1S/C14H19NO2S/c1-10(11-6-4-5-7-12(11)17-3)18-13-8-9-15(2)14(13)16/h4-7,10,13H,8-9H2,1-3H3
InChIKeyFJCXBKUNFFXFEU-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.72
Rot. Bonds4

About 3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one

3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one (PubChem CID 71995522) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one
PubChem CID71995522
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one
SMILESCOc1ccccc1C(C)SC1CCN(C)C1=O
InChIInChI=1S/C14H19NO2S/c1-10(11-6-4-5-7-12(11)17-3)18-13-8-9-15(2)14(13)16/h4-7,10,13H,8-9H2,1-3H3
InChIKeyFJCXBKUNFFXFEU-UHFFFAOYSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one (CID 71995522) is 3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one is COc1ccccc1C(C)SC1CCN(C)C1=O.
What is the InChIKey of 3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one?
The InChIKey is FJCXBKUNFFXFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10(11-6-4-5-7-12(11)17-3)18-13-8-9-15(2)14(13)16/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of 3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one?
3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one has a molecular weight of 265.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 71995522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).