1-[2-oxo-2-[(2R)-3-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one

C14H19N3O3S2 — CID 22844389

IUPAC1-[2-oxo-2-[(2R)-3-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCC(=S)[C@H]1C(=O)N1CCSC1
InChIInChI=1S/C14H19N3O3S2/c18-11-2-1-4-15(11)8-12(19)17-5-3-10(21)13(17)14(20)16-6-7-22-9-16/h13H,1-9H2/t13-/m0/s1
InChIKeyUANYZTFXRKTPCC-ZDUSSCGKSA-N
MW341.46 g/mol
LogP0.11
Rot. Bonds3

About 1-[2-oxo-2-[(2R)-3-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one

1-[2-oxo-2-[(2R)-3-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 22844389) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[2-oxo-2-[(2R)-3-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[(2R)-3-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID22844389
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name1-[2-oxo-2-[(2R)-3-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCC(=S)[C@H]1C(=O)N1CCSC1
InChIInChI=1S/C14H19N3O3S2/c18-11-2-1-4-15(11)8-12(19)17-5-3-10(21)13(17)14(20)16-6-7-22-9-16/h13H,1-9H2/t13-/m0/s1
InChIKeyUANYZTFXRKTPCC-ZDUSSCGKSA-N
XLogP0.11
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[(2S)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-2-carbonyl]-3-sulfanylidenepyrrolidine-2-carbaldehyde
CID 22844393
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974
4-hydroxy-1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43211150
1-[2-oxo-2-[(2S)-2-phenylazetidin-1-yl]ethyl]pyrrolidin-2-one
CID 97278240
4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one
CID 122332121
1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
(2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371463
1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 39954212
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
1-[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 82705535
1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
1-[2-[2-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63249417

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(2R)-3-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-oxo-2-[(2R)-3-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one (CID 22844389) is 1-[2-oxo-2-[(2R)-3-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[(2R)-3-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-oxo-2-[(2R)-3-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCC(=S)[C@H]1C(=O)N1CCSC1.
What is the InChIKey of 1-[2-oxo-2-[(2R)-3-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is UANYZTFXRKTPCC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c18-11-2-1-4-15(11)8-12(19)17-5-3-10(21)13(17)14(20)16-6-7-22-9-16/h13H,1-9H2/t13-/m0/s1.
What are the key properties of 1-[2-oxo-2-[(2R)-3-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-oxo-2-[(2R)-3-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 341.46 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(2R)-3-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 22844389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).