3-methylsulfonylpiperidine-2,6-dione

C6H9NO4S — CID 155635001

IUPAC3-methylsulfonylpiperidine-2,6-dione
SMILESCS(=O)(=O)C1CCC(=O)NC1=O
InChIInChI=1S/C6H9NO4S/c1-12(10,11)4-2-3-5(8)7-6(4)9/h4H,2-3H2,1H3,(H,7,8,9)
InChIKeyRYALZRKUDVZKPK-UHFFFAOYSA-N
MW191.21 g/mol
LogP-1.16
Rot. Bonds1

About 3-methylsulfonylpiperidine-2,6-dione

3-methylsulfonylpiperidine-2,6-dione (PubChem CID 155635001) has the molecular formula C6H9NO4S and a molecular weight of 191.21 g/mol. Its IUPAC name is 3-methylsulfonylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-methylsulfonylpiperidine-2,6-dione
PubChem CID155635001
Molecular FormulaC6H9NO4S
Molecular Weight191.21 g/mol
Exact Mass191.03
IUPAC Name3-methylsulfonylpiperidine-2,6-dione
SMILESCS(=O)(=O)C1CCC(=O)NC1=O
InChIInChI=1S/C6H9NO4S/c1-12(10,11)4-2-3-5(8)7-6(4)9/h4H,2-3H2,1H3,(H,7,8,9)
InChIKeyRYALZRKUDVZKPK-UHFFFAOYSA-N
XLogP-1.16
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 5-1.16
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 3-methylsulfonylpiperidine-2,6-dione?
The IUPAC name of 3-methylsulfonylpiperidine-2,6-dione (CID 155635001) is 3-methylsulfonylpiperidine-2,6-dione.
What is the SMILES notation for 3-methylsulfonylpiperidine-2,6-dione?
The canonical SMILES for 3-methylsulfonylpiperidine-2,6-dione is CS(=O)(=O)C1CCC(=O)NC1=O.
What is the InChIKey of 3-methylsulfonylpiperidine-2,6-dione?
The InChIKey is RYALZRKUDVZKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4S/c1-12(10,11)4-2-3-5(8)7-6(4)9/h4H,2-3H2,1H3,(H,7,8,9).
What are the key properties of 3-methylsulfonylpiperidine-2,6-dione?
3-methylsulfonylpiperidine-2,6-dione has a molecular weight of 191.21 g/mol, XLogP of -1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylpiperidine-2,6-dione is sourced from PubChem (CID 155635001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).