(2-oxo-2-piperidin-1-ylethyl) 2,5-dioxopyrrolidine-1-carbodithioate

C12H16N2O3S2 — CID 4304072

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2,5-dioxopyrrolidine-1-carbodithioate
SMILESO=C(CSC(=S)N1C(=O)CCC1=O)N1CCCCC1
InChIInChI=1S/C12H16N2O3S2/c15-9-4-5-10(16)14(9)12(18)19-8-11(17)13-6-2-1-3-7-13/h1-8H2
InChIKeyGGLIIJOXFZSIEN-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.17
Rot. Bonds2

About (2-oxo-2-piperidin-1-ylethyl) 2,5-dioxopyrrolidine-1-carbodithioate

(2-oxo-2-piperidin-1-ylethyl) 2,5-dioxopyrrolidine-1-carbodithioate (PubChem CID 4304072) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2,5-dioxopyrrolidine-1-carbodithioate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2,5-dioxopyrrolidine-1-carbodithioate
PubChem CID4304072
Molecular FormulaC12H16N2O3S2
Molecular Weight300.40 g/mol
Exact Mass300.06
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2,5-dioxopyrrolidine-1-carbodithioate
SMILESO=C(CSC(=S)N1C(=O)CCC1=O)N1CCCCC1
InChIInChI=1S/C12H16N2O3S2/c15-9-4-5-10(16)14(9)12(18)19-8-11(17)13-6-2-1-3-7-13/h1-8H2
InChIKeyGGLIIJOXFZSIEN-UHFFFAOYSA-N
XLogP1.17
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2,5-dioxopyrrolidine-1-carbodithioate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2,5-dioxopyrrolidine-1-carbodithioate (CID 4304072) is (2-oxo-2-piperidin-1-ylethyl) 2,5-dioxopyrrolidine-1-carbodithioate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2,5-dioxopyrrolidine-1-carbodithioate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2,5-dioxopyrrolidine-1-carbodithioate is O=C(CSC(=S)N1C(=O)CCC1=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2,5-dioxopyrrolidine-1-carbodithioate?
The InChIKey is GGLIIJOXFZSIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c15-9-4-5-10(16)14(9)12(18)19-8-11(17)13-6-2-1-3-7-13/h1-8H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2,5-dioxopyrrolidine-1-carbodithioate?
(2-oxo-2-piperidin-1-ylethyl) 2,5-dioxopyrrolidine-1-carbodithioate has a molecular weight of 300.40 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2,5-dioxopyrrolidine-1-carbodithioate is sourced from PubChem (CID 4304072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).