1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one

C11H14N2OS — CID 168708315

IUPAC1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
SMILESCCc1cccnc1N1CC(S)CC1=O
InChIInChI=1S/C11H14N2OS/c1-2-8-4-3-5-12-11(8)13-7-9(15)6-10(13)14/h3-5,9,15H,2,6-7H2,1H3
InChIKeyULIBWLSNDRIJJP-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.68
Rot. Bonds2

About 1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one

1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168708315) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
PubChem CID168708315
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
SMILESCCc1cccnc1N1CC(S)CC1=O
InChIInChI=1S/C11H14N2OS/c1-2-8-4-3-5-12-11(8)13-7-9(15)6-10(13)14/h3-5,9,15H,2,6-7H2,1H3
InChIKeyULIBWLSNDRIJJP-UHFFFAOYSA-N
XLogP1.68
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711290
methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693214
4-hydroxy-1-[3-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168703715
1-[(2-chloro-3-pyridinyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168709567
1-(3-chloro-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671870
1-(5-methyl-4-phenyl-1H-pyrazol-3-yl)-4-sulfanylpyrrolidin-2-one
CID 168709129
3-ethyl-2-(4-fluoropiperidin-1-yl)pyridine
CID 90352576
1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-4-sulfanylpyrrolidin-2-one
CID 168709524
1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one
CID 168710654
1-[(2-ethoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708283
1-(4-propoxyphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708183
4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one
CID 168509192

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one (CID 168708315) is 1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one is CCc1cccnc1N1CC(S)CC1=O.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is ULIBWLSNDRIJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-8-4-3-5-12-11(8)13-7-9(15)6-10(13)14/h3-5,9,15H,2,6-7H2,1H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one?
1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 222.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168708315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).