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

C6H12N2O2S2 — CID 123951298

IUPAC1-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione
SMILESCS(C)(S)N1C(=O)CNCC1=O
InChIInChI=1S/C6H12N2O2S2/c1-12(2,11)8-5(9)3-7-4-6(8)10/h7,11H,3-4H2,1-2H3
InChIKeyANQOQOHBSNQQKE-UHFFFAOYSA-N
MW208.31 g/mol
LogP-0.23
Rot. Bonds1

About 1-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione

1-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione (PubChem CID 123951298) has the molecular formula C6H12N2O2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione.

Molecular Properties

Compound Name1-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione
PubChem CID123951298
Molecular FormulaC6H12N2O2S2
Molecular Weight208.31 g/mol
Exact Mass208.03
IUPAC Name1-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione
SMILESCS(C)(S)N1C(=O)CNCC1=O
InChIInChI=1S/C6H12N2O2S2/c1-12(2,11)8-5(9)3-7-4-6(8)10/h7,11H,3-4H2,1-2H3
InChIKeyANQOQOHBSNQQKE-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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Related Compounds

1-(1-methylazetidin-3-yl)piperazine-2,6-dione
CID 130727858
2,5-dioxoimidazolidine-1-sulfonic acid
CID 67119143
1-(2-propylsulfonylethyl)piperazine-2,6-dione
CID 106729420
1-(2-ethylbutyl)piperazine-2,6-dione
CID 82929590
1-(4-methylphenyl)piperazine-2,6-dione
CID 82112672
1-methylsulfonylpyrrolidine-2,5-dione
CID 544798
pyrrolidine-3,4-dione
CID 13027232
aziridin-2-one
CID 158991665
CID 158043777
CID 158043777
2-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CID 143678699
1-propan-2-yl-1,4-diazepane-2,7-dione
CID 155459957
1-(3-hydroxypropyl)piperazine-2,6-dione
CID 66062838

Frequently Asked Questions

What is the IUPAC name of 1-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione?
The IUPAC name of 1-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione (CID 123951298) is 1-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione.
What is the SMILES notation for 1-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione?
The canonical SMILES for 1-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione is CS(C)(S)N1C(=O)CNCC1=O.
What is the InChIKey of 1-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione?
The InChIKey is ANQOQOHBSNQQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S2/c1-12(2,11)8-5(9)3-7-4-6(8)10/h7,11H,3-4H2,1-2H3.
What are the key properties of 1-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione?
1-[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 1-[dimethyl(sulfanyl)-λ4-sulfanyl]piperazine-2,6-dione is sourced from PubChem (CID 123951298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).