3-methylsulfinylpiperidine-2,6-dione

C6H9NO3S — CID 155634994

IUPAC3-methylsulfinylpiperidine-2,6-dione
SMILESCS(=O)C1CCC(=O)NC1=O
InChIInChI=1S/C6H9NO3S/c1-11(10)4-2-3-5(8)7-6(4)9/h4H,2-3H2,1H3,(H,7,8,9)
InChIKeyJEWVQBBAHOFEBX-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.83
Rot. Bonds1

About 3-methylsulfinylpiperidine-2,6-dione

3-methylsulfinylpiperidine-2,6-dione (PubChem CID 155634994) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 3-methylsulfinylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-methylsulfinylpiperidine-2,6-dione
PubChem CID155634994
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name3-methylsulfinylpiperidine-2,6-dione
SMILESCS(=O)C1CCC(=O)NC1=O
InChIInChI=1S/C6H9NO3S/c1-11(10)4-2-3-5(8)7-6(4)9/h4H,2-3H2,1H3,(H,7,8,9)
InChIKeyJEWVQBBAHOFEBX-UHFFFAOYSA-N
XLogP-0.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methylazonane-2,9-dione
CID 175922762
3-methylsulfonylpiperidine-2,6-dione
CID 155635001
3-[2-(2,6-dioxopiperidin-3-yl)ethyl]piperidine-2,6-dione
CID 54373582
(3R)-3-aminopiperidine-2,6-dione;hydrobromide
CID 69352156
3-aminopiperidine-2,6-dione;hydron;chloride
CID 22455952
(3R)-3-amino-3-deuteriopiperidine-2,6-dione;hydrochloride
CID 162343638
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
CID 7061092
N-(2,6-dioxopiperidin-3-yl)-N-hydroxyacetamide
CID 145229496
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinylpiperidine-2,6-dione?
The IUPAC name of 3-methylsulfinylpiperidine-2,6-dione (CID 155634994) is 3-methylsulfinylpiperidine-2,6-dione.
What is the SMILES notation for 3-methylsulfinylpiperidine-2,6-dione?
The canonical SMILES for 3-methylsulfinylpiperidine-2,6-dione is CS(=O)C1CCC(=O)NC1=O.
What is the InChIKey of 3-methylsulfinylpiperidine-2,6-dione?
The InChIKey is JEWVQBBAHOFEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-11(10)4-2-3-5(8)7-6(4)9/h4H,2-3H2,1H3,(H,7,8,9).
What are the key properties of 3-methylsulfinylpiperidine-2,6-dione?
3-methylsulfinylpiperidine-2,6-dione has a molecular weight of 175.21 g/mol, XLogP of -0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinylpiperidine-2,6-dione is sourced from PubChem (CID 155634994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).