4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione

C15H18BrNO2S — CID 102845446

IUPAC4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione
SMILESCc1sc(C2CC(=O)NC(=O)C2C2CCCC2)cc1Br
InChIInChI=1S/C15H18BrNO2S/c1-8-11(16)7-12(20-8)10-6-13(18)17-15(19)14(10)9-4-2-3-5-9/h7,9-10,14H,2-6H2,1H3,(H,17,18,19)
InChIKeyIEHYVQDCMJXCAI-UHFFFAOYSA-N
MW356.29 g/mol
LogP3.76
Rot. Bonds2

About 4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione

4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione (PubChem CID 102845446) has the molecular formula C15H18BrNO2S and a molecular weight of 356.29 g/mol. Its IUPAC name is 4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione
PubChem CID102845446
Molecular FormulaC15H18BrNO2S
Molecular Weight356.29 g/mol
Exact Mass355.02
IUPAC Name4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione
SMILESCc1sc(C2CC(=O)NC(=O)C2C2CCCC2)cc1Br
InChIInChI=1S/C15H18BrNO2S/c1-8-11(16)7-12(20-8)10-6-13(18)17-15(19)14(10)9-4-2-3-5-9/h7,9-10,14H,2-6H2,1H3,(H,17,18,19)
InChIKeyIEHYVQDCMJXCAI-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione with MolForge

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Related Compounds

4-(4-bromo-5-methylthiophen-2-yl)-3-propan-2-ylpiperidine-2,6-dione
CID 102845439
3-cyclopentyl-4-(4-methylphenyl)piperidine-2,6-dione
CID 115927013
4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione
CID 115926972
3-cyclopentyl-4-(4-fluorophenyl)piperidine-2,6-dione
CID 115926974
5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 102838029
3-bromo-5-cyclohexyl-2-methylthiophene
CID 102297438
3-cyclopentylpyrrolidine-2,5-dione
CID 14918416
3-cyclohexylpyrrolidine-2,5-dione
CID 12931268
4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione
CID 102845436
3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
CID 115926987
2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine
CID 102845718
2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine
CID 102844765

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione?
The IUPAC name of 4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione (CID 102845446) is 4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione.
What is the SMILES notation for 4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione?
The canonical SMILES for 4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione is Cc1sc(C2CC(=O)NC(=O)C2C2CCCC2)cc1Br.
What is the InChIKey of 4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione?
The InChIKey is IEHYVQDCMJXCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S/c1-8-11(16)7-12(20-8)10-6-13(18)17-15(19)14(10)9-4-2-3-5-9/h7,9-10,14H,2-6H2,1H3,(H,17,18,19).
What are the key properties of 4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione?
4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione has a molecular weight of 356.29 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione is sourced from PubChem (CID 102845446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).