4-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione

C6H12N2O2S2 — CID 135218544

IUPAC4-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione
SMILESCS(C)(S)N1CC(=O)NC(=O)C1
InChIInChI=1S/C6H12N2O2S2/c1-12(2,11)8-3-5(9)7-6(10)4-8/h11H,3-4H2,1-2H3,(H,7,9,10)
InChIKeyZEEHFIYWCAJFJK-UHFFFAOYSA-N
MW208.31 g/mol
LogP-0.23
Rot. Bonds1

About 4-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione

4-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione (PubChem CID 135218544) has the molecular formula C6H12N2O2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione
PubChem CID135218544
Molecular FormulaC6H12N2O2S2
Molecular Weight208.31 g/mol
Exact Mass208.03
IUPAC Name4-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione
SMILESCS(C)(S)N1CC(=O)NC(=O)C1
InChIInChI=1S/C6H12N2O2S2/c1-12(2,11)8-3-5(9)7-6(10)4-8/h11H,3-4H2,1-2H3,(H,7,9,10)
InChIKeyZEEHFIYWCAJFJK-UHFFFAOYSA-N
XLogP-0.23
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione?
The IUPAC name of 4-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione (CID 135218544) is 4-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione?
The canonical SMILES for 4-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione is CS(C)(S)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione?
The InChIKey is ZEEHFIYWCAJFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S2/c1-12(2,11)8-3-5(9)7-6(10)4-8/h11H,3-4H2,1-2H3,(H,7,9,10).
What are the key properties of 4-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione?
4-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione has a molecular weight of 208.31 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione is sourced from PubChem (CID 135218544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).