4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione

C13H15Br2NO2S — CID 102845436

IUPAC4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)CC1C(=O)NC(=O)CC1c1cc(Br)c(Br)s1
InChIInChI=1S/C13H15Br2NO2S/c1-6(2)3-8-7(4-11(17)16-13(8)18)10-5-9(14)12(15)19-10/h5-8H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyFTQYKAABFUVICX-UHFFFAOYSA-N
MW409.14 g/mol
LogP4.07
Rot. Bonds3

About 4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione

4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione (PubChem CID 102845436) has the molecular formula C13H15Br2NO2S and a molecular weight of 409.14 g/mol. Its IUPAC name is 4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione
PubChem CID102845436
Molecular FormulaC13H15Br2NO2S
Molecular Weight409.14 g/mol
Exact Mass406.92
IUPAC Name4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)CC1C(=O)NC(=O)CC1c1cc(Br)c(Br)s1
InChIInChI=1S/C13H15Br2NO2S/c1-6(2)3-8-7(4-11(17)16-13(8)18)10-5-9(14)12(15)19-10/h5-8H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyFTQYKAABFUVICX-UHFFFAOYSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.14
LogP ≤ 54.07
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-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione?
The IUPAC name of 4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione (CID 102845436) is 4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione.
What is the SMILES notation for 4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione?
The canonical SMILES for 4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione is CC(C)CC1C(=O)NC(=O)CC1c1cc(Br)c(Br)s1.
What is the InChIKey of 4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione?
The InChIKey is FTQYKAABFUVICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO2S/c1-6(2)3-8-7(4-11(17)16-13(8)18)10-5-9(14)12(15)19-10/h5-8H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione?
4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione has a molecular weight of 409.14 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione is sourced from PubChem (CID 102845436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).