1-[3-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one

C11H14N2O2S2 — CID 88840816

IUPAC1-[3-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one
SMILESO=C1CCC(=S)N1CCCN1C(=O)CCC1=S
InChIInChI=1S/C11H14N2O2S2/c14-8-2-4-10(16)12(8)6-1-7-13-9(15)3-5-11(13)17/h1-7H2
InChIKeyGJHYWOVFFDBSOW-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.28
Rot. Bonds4

About 1-[3-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one

1-[3-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one (PubChem CID 88840816) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[3-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one
PubChem CID88840816
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name1-[3-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one
SMILESO=C1CCC(=S)N1CCCN1C(=O)CCC1=S
InChIInChI=1S/C11H14N2O2S2/c14-8-2-4-10(16)12(8)6-1-7-13-9(15)3-5-11(13)17/h1-7H2
InChIKeyGJHYWOVFFDBSOW-UHFFFAOYSA-N
XLogP1.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1'-(Propane-1,3-diyl)di(pyrrolidin-2-one)
CID 12485480
1-[2-(2-Oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one
CID 3089040
1,4-Bis(2-sulfanylidenepyrrolidin-1-yl)butane-1,4-dione
CID 763054
1-[2-[2-(2-Oxopyrrolidin-1-yl)ethyldisulfanyl]ethyl]pyrrolidin-2-one
CID 13848190
1-[3-[3-(2-Oxopyrrolidin-1-yl)propyldisulfanyl]propyl]pyrrolidin-2-one
CID 13848191
1-[2-[(2-Oxopyrrolidin-1-yl)methyldisulfanyl]ethyl]pyrrolidin-2-one
CID 13848193
1-(4-Pyrrolidin-1-ylbut-2-ynyl)-3-sulfanylidenepyrrolidin-2-one
CID 19043561
1-[(2-Oxopyrrolidin-1-yl)disulfanyl]pyrrolidin-2-one
CID 20229879
1-[5-(2,5-Dioxo-3-sulfanylidenepyrrolidin-1-yl)pentyl]-3-sulfanylidenepyrrolidine-2,5-dione
CID 21519321
1-[4-(2,5-Dioxo-3-sulfanylidenepyrrolidin-1-yl)butyl]-3-sulfanylidenepyrrolidine-2,5-dione
CID 21519324
1-[2-(2,5-Dioxo-3-sulfanylidenepyrrolidin-1-yl)ethyl]-3-sulfanylidenepyrrolidine-2,5-dione
CID 21519336
1-[3-(2,5-Dioxo-3-sulfanylidenepyrrolidin-1-yl)propyl]-3-sulfanylidenepyrrolidine-2,5-dione
CID 21519344

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one?
The IUPAC name of 1-[3-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one (CID 88840816) is 1-[3-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one.
What is the SMILES notation for 1-[3-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one?
The canonical SMILES for 1-[3-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one is O=C1CCC(=S)N1CCCN1C(=O)CCC1=S.
What is the InChIKey of 1-[3-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one?
The InChIKey is GJHYWOVFFDBSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c14-8-2-4-10(16)12(8)6-1-7-13-9(15)3-5-11(13)17/h1-7H2.
What are the key properties of 1-[3-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one?
1-[3-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one has a molecular weight of 270.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)propyl]-5-sulfanylidenepyrrolidin-2-one is sourced from PubChem (CID 88840816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).