(4,5-dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone

C11H13Br2NO2S — CID 25161803

IUPAC(4,5-dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)c(Br)s2)CC(C)O1
InChIInChI=1S/C11H13Br2NO2S/c1-6-4-14(5-7(2)16-6)11(15)9-3-8(12)10(13)17-9/h3,6-7H,4-5H2,1-2H3
InChIKeyIJDGOKJRTGWZHX-UHFFFAOYSA-N
MW383.11 g/mol
LogP3.52
Rot. Bonds1

About (4,5-dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone

(4,5-dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 25161803) has the molecular formula C11H13Br2NO2S and a molecular weight of 383.11 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID25161803
Molecular FormulaC11H13Br2NO2S
Molecular Weight383.11 g/mol
Exact Mass380.90
IUPAC Name(4,5-dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)c(Br)s2)CC(C)O1
InChIInChI=1S/C11H13Br2NO2S/c1-6-4-14(5-7(2)16-6)11(15)9-3-8(12)10(13)17-9/h3,6-7H,4-5H2,1-2H3
InChIKeyIJDGOKJRTGWZHX-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.11
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 25161803) is (4,5-dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(Br)c(Br)s2)CC(C)O1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is IJDGOKJRTGWZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2S/c1-6-4-14(5-7(2)16-6)11(15)9-3-8(12)10(13)17-9/h3,6-7H,4-5H2,1-2H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
(4,5-dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 383.11 g/mol, XLogP of 3.52, 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)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 25161803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).