4-(4-bromothiophen-2-yl)piperidine-2,6-dione

C9H8BrNO2S — CID 63156130

IUPAC4-(4-bromothiophen-2-yl)piperidine-2,6-dione
SMILESO=C1CC(c2cc(Br)cs2)CC(=O)N1
InChIInChI=1S/C9H8BrNO2S/c10-6-3-7(14-4-6)5-1-8(12)11-9(13)2-5/h3-5H,1-2H2,(H,11,12,13)
InChIKeyUGCXFSPMWFMXNH-UHFFFAOYSA-N
MW274.14 g/mol
LogP2.03
Rot. Bonds1

About 4-(4-bromothiophen-2-yl)piperidine-2,6-dione

4-(4-bromothiophen-2-yl)piperidine-2,6-dione (PubChem CID 63156130) has the molecular formula C9H8BrNO2S and a molecular weight of 274.14 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)piperidine-2,6-dione
PubChem CID63156130
Molecular FormulaC9H8BrNO2S
Molecular Weight274.14 g/mol
Exact Mass272.95
IUPAC Name4-(4-bromothiophen-2-yl)piperidine-2,6-dione
SMILESO=C1CC(c2cc(Br)cs2)CC(=O)N1
InChIInChI=1S/C9H8BrNO2S/c10-6-3-7(14-4-6)5-1-8(12)11-9(13)2-5/h3-5H,1-2H2,(H,11,12,13)
InChIKeyUGCXFSPMWFMXNH-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 52.03
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 4-(4-bromothiophen-2-yl)piperidine-2,6-dione?
The IUPAC name of 4-(4-bromothiophen-2-yl)piperidine-2,6-dione (CID 63156130) is 4-(4-bromothiophen-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)piperidine-2,6-dione?
The canonical SMILES for 4-(4-bromothiophen-2-yl)piperidine-2,6-dione is O=C1CC(c2cc(Br)cs2)CC(=O)N1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)piperidine-2,6-dione?
The InChIKey is UGCXFSPMWFMXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2S/c10-6-3-7(14-4-6)5-1-8(12)11-9(13)2-5/h3-5H,1-2H2,(H,11,12,13).
What are the key properties of 4-(4-bromothiophen-2-yl)piperidine-2,6-dione?
4-(4-bromothiophen-2-yl)piperidine-2,6-dione has a molecular weight of 274.14 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 63156130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).