3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione

C15H12BrNO2S — CID 79454422

IUPAC3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione
SMILESO=C1CC(c2cccs2)C(c2ccccc2Br)C(=O)N1
InChIInChI=1S/C15H12BrNO2S/c16-11-5-2-1-4-9(11)14-10(12-6-3-7-20-12)8-13(18)17-15(14)19/h1-7,10,14H,8H2,(H,17,18,19)
InChIKeySUBHLNLFQCFYOE-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.42
Rot. Bonds2

About 3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione

3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione (PubChem CID 79454422) has the molecular formula C15H12BrNO2S and a molecular weight of 350.24 g/mol. Its IUPAC name is 3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione
PubChem CID79454422
Molecular FormulaC15H12BrNO2S
Molecular Weight350.24 g/mol
Exact Mass348.98
IUPAC Name3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione
SMILESO=C1CC(c2cccs2)C(c2ccccc2Br)C(=O)N1
InChIInChI=1S/C15H12BrNO2S/c16-11-5-2-1-4-9(11)14-10(12-6-3-7-20-12)8-13(18)17-15(14)19/h1-7,10,14H,8H2,(H,17,18,19)
InChIKeySUBHLNLFQCFYOE-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione?
The IUPAC name of 3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione (CID 79454422) is 3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione?
The canonical SMILES for 3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione is O=C1CC(c2cccs2)C(c2ccccc2Br)C(=O)N1.
What is the InChIKey of 3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione?
The InChIKey is SUBHLNLFQCFYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S/c16-11-5-2-1-4-9(11)14-10(12-6-3-7-20-12)8-13(18)17-15(14)19/h1-7,10,14H,8H2,(H,17,18,19).
What are the key properties of 3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione?
3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione has a molecular weight of 350.24 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-4-thiophen-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 79454422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).