1-(1-methylsulfonylpropan-2-yl)piperidine-2,4-dione

C9H15NO4S — CID 79516335

IUPAC1-(1-methylsulfonylpropan-2-yl)piperidine-2,4-dione
SMILESCC(CS(C)(=O)=O)N1CCC(=O)CC1=O
InChIInChI=1S/C9H15NO4S/c1-7(6-15(2,13)14)10-4-3-8(11)5-9(10)12/h7H,3-6H2,1-2H3
InChIKeyVMDUFCYDYBGPTO-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.39
Rot. Bonds3

About 1-(1-methylsulfonylpropan-2-yl)piperidine-2,4-dione

1-(1-methylsulfonylpropan-2-yl)piperidine-2,4-dione (PubChem CID 79516335) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(1-methylsulfonylpropan-2-yl)piperidine-2,4-dione.

Molecular Properties

Compound Name1-(1-methylsulfonylpropan-2-yl)piperidine-2,4-dione
PubChem CID79516335
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name1-(1-methylsulfonylpropan-2-yl)piperidine-2,4-dione
SMILESCC(CS(C)(=O)=O)N1CCC(=O)CC1=O
InChIInChI=1S/C9H15NO4S/c1-7(6-15(2,13)14)10-4-3-8(11)5-9(10)12/h7H,3-6H2,1-2H3
InChIKeyVMDUFCYDYBGPTO-UHFFFAOYSA-N
XLogP-0.39
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpropan-2-yl)piperidine-2,4-dione?
The IUPAC name of 1-(1-methylsulfonylpropan-2-yl)piperidine-2,4-dione (CID 79516335) is 1-(1-methylsulfonylpropan-2-yl)piperidine-2,4-dione.
What is the SMILES notation for 1-(1-methylsulfonylpropan-2-yl)piperidine-2,4-dione?
The canonical SMILES for 1-(1-methylsulfonylpropan-2-yl)piperidine-2,4-dione is CC(CS(C)(=O)=O)N1CCC(=O)CC1=O.
What is the InChIKey of 1-(1-methylsulfonylpropan-2-yl)piperidine-2,4-dione?
The InChIKey is VMDUFCYDYBGPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-7(6-15(2,13)14)10-4-3-8(11)5-9(10)12/h7H,3-6H2,1-2H3.
What are the key properties of 1-(1-methylsulfonylpropan-2-yl)piperidine-2,4-dione?
1-(1-methylsulfonylpropan-2-yl)piperidine-2,4-dione has a molecular weight of 233.29 g/mol, XLogP of -0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpropan-2-yl)piperidine-2,4-dione is sourced from PubChem (CID 79516335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).