1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone

C12H16BrNO2S — CID 43797577

IUPAC1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone
SMILESCCC1COCCN1CC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H16BrNO2S/c1-2-9-8-16-6-5-14(9)7-10(15)11-3-4-12(13)17-11/h3-4,9H,2,5-8H2,1H3
InChIKeyOVAJCMXLOLZWEK-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.80
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone

1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone (PubChem CID 43797577) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone
PubChem CID43797577
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone
SMILESCCC1COCCN1CC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H16BrNO2S/c1-2-9-8-16-6-5-14(9)7-10(15)11-3-4-12(13)17-11/h3-4,9H,2,5-8H2,1H3
InChIKeyOVAJCMXLOLZWEK-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103671
2-(3-ethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone
CID 43797584
2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone
CID 43797578
2-(3-ethylmorpholin-4-yl)-1-(4-methoxyphenyl)ethanone
CID 43797594
2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 43797605
1-(4-bromophenyl)-4-(3-ethylmorpholin-4-yl)butan-1-one
CID 43793216
4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine
CID 61392339
N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide
CID 83101761
4-(2-bromoprop-2-enyl)-3-ethylmorpholine
CID 130927364
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 62017494
1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836577
2-(3-methylmorpholin-4-yl)-1-thiophen-2-ylethanone
CID 43796416

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone (CID 43797577) is 1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone is CCC1COCCN1CC(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone?
The InChIKey is OVAJCMXLOLZWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-2-9-8-16-6-5-14(9)7-10(15)11-3-4-12(13)17-11/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone?
1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone has a molecular weight of 318.24 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(3-ethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43797577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).