1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone

C12H15Br2NO2S — CID 43227112

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(CC(=O)c2cc(Br)sc2Br)CC(C)O1
InChIInChI=1S/C12H15Br2NO2S/c1-7-4-15(5-8(2)17-7)6-10(16)9-3-11(13)18-12(9)14/h3,7-8H,4-6H2,1-2H3
InChIKeyDEKLYNNIBONOJH-UHFFFAOYSA-N
MW397.13 g/mol
LogP3.57
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone

1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 43227112) has the molecular formula C12H15Br2NO2S and a molecular weight of 397.13 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID43227112
Molecular FormulaC12H15Br2NO2S
Molecular Weight397.13 g/mol
Exact Mass394.92
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(CC(=O)c2cc(Br)sc2Br)CC(C)O1
InChIInChI=1S/C12H15Br2NO2S/c1-7-4-15(5-8(2)17-7)6-10(16)9-3-11(13)18-12(9)14/h3,7-8H,4-6H2,1-2H3
InChIKeyDEKLYNNIBONOJH-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.13
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone 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 1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone (CID 43227112) is 1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(CC(=O)c2cc(Br)sc2Br)CC(C)O1.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is DEKLYNNIBONOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2S/c1-7-4-15(5-8(2)17-7)6-10(16)9-3-11(13)18-12(9)14/h3,7-8H,4-6H2,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone?
1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 397.13 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43227112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).