1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one

C12H15NO2S — CID 71925035

IUPAC1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCSc1ccccc1O
InChIInChI=1S/C12H15NO2S/c14-10-4-1-2-5-11(10)16-9-8-13-7-3-6-12(13)15/h1-2,4-5,14H,3,6-9H2
InChIKeyGCUVWIUIPNGHPQ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.11
Rot. Bonds4

About 1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one

1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one (PubChem CID 71925035) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one
PubChem CID71925035
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCSc1ccccc1O
InChIInChI=1S/C12H15NO2S/c14-10-4-1-2-5-11(10)16-9-8-13-7-3-6-12(13)15/h1-2,4-5,14H,3,6-9H2
InChIKeyGCUVWIUIPNGHPQ-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3-amino-2-(2-hydroxyphenyl)propyl]pyrrolidin-2-one
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N-[2-(2-oxopiperidin-1-yl)ethyl]-2,2-diphenylacetamide
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1-(3-hydroxy-3-phenylpropyl)azocan-2-one
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N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide
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2-(2-hydroxyphenyl)sulfanylethyl-oxophosphanium
CID 123192052
1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one
CID 4213266
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CID 24789391
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
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arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one (CID 71925035) is 1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one is O=C1CCCN1CCSc1ccccc1O.
What is the InChIKey of 1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one?
The InChIKey is GCUVWIUIPNGHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-10-4-1-2-5-11(10)16-9-8-13-7-3-6-12(13)15/h1-2,4-5,14H,3,6-9H2.
What are the key properties of 1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one?
1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one has a molecular weight of 237.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one is sourced from PubChem (CID 71925035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).