1-[2-(2-oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one

C10H12N2O2S2 — CID 3089040

IUPAC1-[2-(2-oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=S)C(=S)N1CCCC1=O
InChIInChI=1S/C10H12N2O2S2/c13-7-3-1-5-11(7)9(15)10(16)12-6-2-4-8(12)14/h1-6H2
InChIKeySLXMAQNTOSJVTL-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.89
Rot. Bonds

About 1-[2-(2-oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one

1-[2-(2-oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one (PubChem CID 3089040) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-(2-oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one
PubChem CID3089040
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name1-[2-(2-oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=S)C(=S)N1CCCC1=O
InChIInChI=1S/C10H12N2O2S2/c13-7-3-1-5-11(7)9(15)10(16)12-6-2-4-8(12)14/h1-6H2
InChIKeySLXMAQNTOSJVTL-UHFFFAOYSA-N
XLogP0.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.89
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

Ethanedithioamide, N,N'-bis(2-(2-oxo-1-pyrrolidinyl)ethyl)-
CID 3088191
1,1'-(Ethane-1,2-diyl)di(pyrrolidin-2-one)
CID 13710692
(3S)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione
CID 53245656
(3R)-1-[2-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethyl]-3-sulfanylpyrrolidine-2,5-dione
CID 139592383
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-(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
1-[2-(2,5-Dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione
CID 75988972

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one (CID 3089040) is 1-[2-(2-oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one is O=C1CCCN1C(=S)C(=S)N1CCCC1=O.
What is the InChIKey of 1-[2-(2-oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one?
The InChIKey is SLXMAQNTOSJVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c13-7-3-1-5-11(7)9(15)10(16)12-6-2-4-8(12)14/h1-6H2.
What are the key properties of 1-[2-(2-oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one?
1-[2-(2-oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one has a molecular weight of 256.35 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxopyrrolidin-1-yl)-2-sulfanylideneethanethioyl]pyrrolidin-2-one is sourced from PubChem (CID 3089040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).