4-methylsulfonylpiperazine-2,6-dione

C5H8N2O4S — CID 66084034

IUPAC4-methylsulfonylpiperazine-2,6-dione
SMILESCS(=O)(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C5H8N2O4S/c1-12(10,11)7-2-4(8)6-5(9)3-7/h2-3H2,1H3,(H,6,8,9)
InChIKeyZICUYOMCIOUZGA-UHFFFAOYSA-N
MW192.20 g/mol
LogP-2.10
Rot. Bonds1

About 4-methylsulfonylpiperazine-2,6-dione

4-methylsulfonylpiperazine-2,6-dione (PubChem CID 66084034) has the molecular formula C5H8N2O4S and a molecular weight of 192.20 g/mol. Its IUPAC name is 4-methylsulfonylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-methylsulfonylpiperazine-2,6-dione
PubChem CID66084034
Molecular FormulaC5H8N2O4S
Molecular Weight192.20 g/mol
Exact Mass192.02
IUPAC Name4-methylsulfonylpiperazine-2,6-dione
SMILESCS(=O)(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C5H8N2O4S/c1-12(10,11)7-2-4(8)6-5(9)3-7/h2-3H2,1H3,(H,6,8,9)
InChIKeyZICUYOMCIOUZGA-UHFFFAOYSA-N
XLogP-2.10
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 5-2.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylsulfonylpiperazine-2,6-dione?
The IUPAC name of 4-methylsulfonylpiperazine-2,6-dione (CID 66084034) is 4-methylsulfonylpiperazine-2,6-dione.
What is the SMILES notation for 4-methylsulfonylpiperazine-2,6-dione?
The canonical SMILES for 4-methylsulfonylpiperazine-2,6-dione is CS(=O)(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-methylsulfonylpiperazine-2,6-dione?
The InChIKey is ZICUYOMCIOUZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4S/c1-12(10,11)7-2-4(8)6-5(9)3-7/h2-3H2,1H3,(H,6,8,9).
What are the key properties of 4-methylsulfonylpiperazine-2,6-dione?
4-methylsulfonylpiperazine-2,6-dione has a molecular weight of 192.20 g/mol, XLogP of -2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylpiperazine-2,6-dione is sourced from PubChem (CID 66084034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).