(4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone

C9H9Br2NO2S — CID 24979897

IUPAC(4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc(Br)c(Br)s1)N1CCOCC1
InChIInChI=1S/C9H9Br2NO2S/c10-6-5-7(15-8(6)11)9(13)12-1-3-14-4-2-12/h5H,1-4H2
InChIKeyDJTMUXOKBYBQTD-UHFFFAOYSA-N
MW355.05 g/mol
LogP2.75
Rot. Bonds1

About (4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone

(4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone (PubChem CID 24979897) has the molecular formula C9H9Br2NO2S and a molecular weight of 355.05 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone
PubChem CID24979897
Molecular FormulaC9H9Br2NO2S
Molecular Weight355.05 g/mol
Exact Mass352.87
IUPAC Name(4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc(Br)c(Br)s1)N1CCOCC1
InChIInChI=1S/C9H9Br2NO2S/c10-6-5-7(15-8(6)11)9(13)12-1-3-14-4-2-12/h5H,1-4H2
InChIKeyDJTMUXOKBYBQTD-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.05
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone (CID 24979897) is (4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone is O=C(c1cc(Br)c(Br)s1)N1CCOCC1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone?
The InChIKey is DJTMUXOKBYBQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO2S/c10-6-5-7(15-8(6)11)9(13)12-1-3-14-4-2-12/h5H,1-4H2.
What are the key properties of (4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone?
(4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone has a molecular weight of 355.05 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 24979897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).