(4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

C11H13Br2NO3S — CID 102932957

IUPAC(4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2cc(Br)c(Br)s2)CC(CO)O1
InChIInChI=1S/C11H13Br2NO3S/c1-6-3-14(4-7(5-15)17-6)11(16)9-2-8(12)10(13)18-9/h2,6-7,15H,3-5H2,1H3
InChIKeyUHIBGBVZEOLMRE-UHFFFAOYSA-N
MW399.10 g/mol
LogP2.49
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

(4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 102932957) has the molecular formula C11H13Br2NO3S and a molecular weight of 399.10 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID102932957
Molecular FormulaC11H13Br2NO3S
Molecular Weight399.10 g/mol
Exact Mass396.90
IUPAC Name(4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2cc(Br)c(Br)s2)CC(CO)O1
InChIInChI=1S/C11H13Br2NO3S/c1-6-3-14(4-7(5-15)17-6)11(16)9-2-8(12)10(13)18-9/h2,6-7,15H,3-5H2,1H3
InChIKeyUHIBGBVZEOLMRE-UHFFFAOYSA-N
XLogP2.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.10
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934725
(5-amino-1-benzothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931471
[2-(chloromethyl)morpholin-4-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 81210944
(4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932964
(E)-3-[5-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]thiophen-2-yl]prop-2-enoic acid
CID 102935373
(4,5-dibromothiophen-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678693
(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934660
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102932485
(5-chlorofuran-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934136
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
(4,5-dibromothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900858
(2-bromo-3-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932978

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (CID 102932957) is (4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is CC1CN(C(=O)c2cc(Br)c(Br)s2)CC(CO)O1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is UHIBGBVZEOLMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO3S/c1-6-3-14(4-7(5-15)17-6)11(16)9-2-8(12)10(13)18-9/h2,6-7,15H,3-5H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
(4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 399.10 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 102932957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).