1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one

C8H15NO2S — CID 14553076

IUPAC1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCSCCO
InChIInChI=1S/C8H15NO2S/c10-5-7-12-6-4-9-3-1-2-8(9)11/h10H,1-7H2
InChIKeyPRMXGHSBZOCMBO-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.33
Rot. Bonds5

About 1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one

1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one (PubChem CID 14553076) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one
PubChem CID14553076
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCSCCO
InChIInChI=1S/C8H15NO2S/c10-5-7-12-6-4-9-3-1-2-8(9)11/h10H,1-7H2
InChIKeyPRMXGHSBZOCMBO-UHFFFAOYSA-N
XLogP0.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-[3-(2-hydroxyethylsulfanyl)-3-methylbutyl]pyrrolidin-2-one
CID 139337896
1-(2-silylethyl)pyrrolidin-2-one
CID 154480854
1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanyl]ethyl]pyrrolidin-2-one
CID 168983860
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
2-(2-oxopyrrolidin-1-yl)ethylazanium
CID 7446746
azane;1-(2-bromoethyl)pyrrolidin-2-one
CID 174693933
1-[2-(3-hydroxypropylsulfanyl)ethyl]-1,3-diazinan-2-one
CID 106305088
sodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine
CID 23698158
1-[2-(2-hydroxyphenyl)sulfanylethyl]pyrrolidin-2-one
CID 71925035
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one (CID 14553076) is 1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one is O=C1CCCN1CCSCCO.
What is the InChIKey of 1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one?
The InChIKey is PRMXGHSBZOCMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c10-5-7-12-6-4-9-3-1-2-8(9)11/h10H,1-7H2.
What are the key properties of 1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one?
1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one has a molecular weight of 189.28 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 14553076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).