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

C9H17NO2S — CID 67979058

IUPAC1-[2-(2-methoxyethylsulfanyl)ethyl]pyrrolidin-2-one
SMILESCOCCSCCN1CCCC1=O
InChIInChI=1S/C9H17NO2S/c1-12-6-8-13-7-5-10-4-2-3-9(10)11/h2-8H2,1H3
InChIKeyIFSZKUUGKBCEDA-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.99
Rot. Bonds6

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

1-[2-(2-methoxyethylsulfanyl)ethyl]pyrrolidin-2-one (PubChem CID 67979058) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylsulfanyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethylsulfanyl)ethyl]pyrrolidin-2-one
PubChem CID67979058
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name1-[2-(2-methoxyethylsulfanyl)ethyl]pyrrolidin-2-one
SMILESCOCCSCCN1CCCC1=O
InChIInChI=1S/C9H17NO2S/c1-12-6-8-13-7-5-10-4-2-3-9(10)11/h2-8H2,1H3
InChIKeyIFSZKUUGKBCEDA-UHFFFAOYSA-N
XLogP0.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Methylsulfanyl)-1-(pyrrolidin-1-yl)butan-1-one
CID 84324723
1-[2-(Ethylthio)ethyl]-2-pyrrolidinone
CID 20458704
1-[2-[(Ethoxycarbonyl)methylthio]ethyl]-2-pyrrolidinone
CID 59747000
1-[2-[[2-(Ethylthio)ethyl]thio]ethyl]-2-pyrrolidinone
CID 129809762
N-succinyl-S-acetylcysteamine
CID 129713559
1-[2-(Propylthio)propyl]-2-pyrrolidinone
CID 129806510
1-[2-[(Ethoxycarbonyl)methylthio]propyl]-2-pyrrolidinone
CID 129807225
1-[3-[(Ethoxycarbonyl)methylthio]propyl]-2-pyrrolidone
CID 129807347
1-[2-(Ethylthio)propyl]-2-pyrrolidinone
CID 129807352
1-[2-[[2-(Butylthio)ethyl]thio]ethyl]-2-pyrrolidinone
CID 129809761
(3S)-3-propylsulfanyl-1-pyrrolidin-1-ylbutan-1-one
CID 164674982
Methyl 2-(1-methyl-2-oxopyrrolidin-3-yl)sulfanylacetate
CID 178336911

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylsulfanyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-methoxyethylsulfanyl)ethyl]pyrrolidin-2-one (CID 67979058) is 1-[2-(2-methoxyethylsulfanyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-methoxyethylsulfanyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-methoxyethylsulfanyl)ethyl]pyrrolidin-2-one is COCCSCCN1CCCC1=O.
What is the InChIKey of 1-[2-(2-methoxyethylsulfanyl)ethyl]pyrrolidin-2-one?
The InChIKey is IFSZKUUGKBCEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-12-6-8-13-7-5-10-4-2-3-9(10)11/h2-8H2,1H3.
What are the key properties of 1-[2-(2-methoxyethylsulfanyl)ethyl]pyrrolidin-2-one?
1-[2-(2-methoxyethylsulfanyl)ethyl]pyrrolidin-2-one has a molecular weight of 203.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylsulfanyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 67979058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).