4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione

C7H12N2O6S2 — CID 66084609

IUPAC4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione
SMILESCS(=O)(=O)CCS(=O)(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C7H12N2O6S2/c1-16(12,13)2-3-17(14,15)9-4-6(10)8-7(11)5-9/h2-5H2,1H3,(H,8,10,11)
InChIKeyTZVBTQPYZWPYIE-UHFFFAOYSA-N
MW284.31 g/mol
LogP-2.68
Rot. Bonds4

About 4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione

4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione (PubChem CID 66084609) has the molecular formula C7H12N2O6S2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione
PubChem CID66084609
Molecular FormulaC7H12N2O6S2
Molecular Weight284.31 g/mol
Exact Mass284.01
IUPAC Name4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione
SMILESCS(=O)(=O)CCS(=O)(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C7H12N2O6S2/c1-16(12,13)2-3-17(14,15)9-4-6(10)8-7(11)5-9/h2-5H2,1H3,(H,8,10,11)
InChIKeyTZVBTQPYZWPYIE-UHFFFAOYSA-N
XLogP-2.68
TPSA117.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-2.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione (CID 66084609) is 4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione is CS(=O)(=O)CCS(=O)(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione?
The InChIKey is TZVBTQPYZWPYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O6S2/c1-16(12,13)2-3-17(14,15)9-4-6(10)8-7(11)5-9/h2-5H2,1H3,(H,8,10,11).
What are the key properties of 4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione?
4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione has a molecular weight of 284.31 g/mol, XLogP of -2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethylsulfonyl)piperazine-2,6-dione is sourced from PubChem (CID 66084609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).