3-methyl-5-methylsulfanylpiperidine-2,6-dione

C7H11NO2S — CID 169307315

IUPAC3-methyl-5-methylsulfanylpiperidine-2,6-dione
SMILESCSC1CC(C)C(=O)NC1=O
InChIInChI=1S/C7H11NO2S/c1-4-3-5(11-2)7(10)8-6(4)9/h4-5H,3H2,1-2H3,(H,8,9,10)
InChIKeyNISURQVAMMCOCD-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.40
Rot. Bonds1

About 3-methyl-5-methylsulfanylpiperidine-2,6-dione

3-methyl-5-methylsulfanylpiperidine-2,6-dione (PubChem CID 169307315) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-methyl-5-methylsulfanylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-methyl-5-methylsulfanylpiperidine-2,6-dione
PubChem CID169307315
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name3-methyl-5-methylsulfanylpiperidine-2,6-dione
SMILESCSC1CC(C)C(=O)NC1=O
InChIInChI=1S/C7H11NO2S/c1-4-3-5(11-2)7(10)8-6(4)9/h4-5H,3H2,1-2H3,(H,8,9,10)
InChIKeyNISURQVAMMCOCD-UHFFFAOYSA-N
XLogP0.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.40
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-iodo-5-methylpiperidine-2,6-dione
CID 170011464
(3R)-3-methylsulfanylpyrrolidine-2,5-dione
CID 130632888
3,4-dimethylpyrrolidine-2,5-dione
CID 3550866
3,5,6,6-tetramethylpiperidin-2-one
CID 170011780
(3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one
CID 10877260
5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione
CID 10654245
(3aS,4aR,7aS,8aR)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 102422386
3-methyl-4-methylsulfanylpiperidine-2,6-dione
CID 169307498
5-methyl-1,3-thiazinane-2,4-dione
CID 13448592
3-methyl-5-methylidenepyrrolidin-2-one;pyrrolidine-2,5-dione
CID 143529364
ethane;3-methylpyrrolidine-2,5-dione;propane
CID 145077035
ethane;5-methoxy-1-methyl-3-methylsulfanylpyrrolidin-2-one
CID 144590168

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylsulfanylpiperidine-2,6-dione?
The IUPAC name of 3-methyl-5-methylsulfanylpiperidine-2,6-dione (CID 169307315) is 3-methyl-5-methylsulfanylpiperidine-2,6-dione.
What is the SMILES notation for 3-methyl-5-methylsulfanylpiperidine-2,6-dione?
The canonical SMILES for 3-methyl-5-methylsulfanylpiperidine-2,6-dione is CSC1CC(C)C(=O)NC1=O.
What is the InChIKey of 3-methyl-5-methylsulfanylpiperidine-2,6-dione?
The InChIKey is NISURQVAMMCOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-4-3-5(11-2)7(10)8-6(4)9/h4-5H,3H2,1-2H3,(H,8,9,10).
What are the key properties of 3-methyl-5-methylsulfanylpiperidine-2,6-dione?
3-methyl-5-methylsulfanylpiperidine-2,6-dione has a molecular weight of 173.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylsulfanylpiperidine-2,6-dione is sourced from PubChem (CID 169307315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).