2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone

C12H16BrNO2S — CID 96547494

IUPAC2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
SMILESCC[C@H]1CN(C(=O)Cc2ccc(Br)s2)CCO1
InChIInChI=1S/C12H16BrNO2S/c1-2-9-8-14(5-6-16-9)12(15)7-10-3-4-11(13)17-10/h3-4,9H,2,5-8H2,1H3/t9-/m0/s1
InChIKeyOHOMBWFKLIXIAD-VIFPVBQESA-N
MW318.24 g/mol
LogP2.69
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone

2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone (PubChem CID 96547494) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
PubChem CID96547494
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
SMILESCC[C@H]1CN(C(=O)Cc2ccc(Br)s2)CCO1
InChIInChI=1S/C12H16BrNO2S/c1-2-9-8-14(5-6-16-9)12(15)7-10-3-4-11(13)17-10/h3-4,9H,2,5-8H2,1H3/t9-/m0/s1
InChIKeyOHOMBWFKLIXIAD-VIFPVBQESA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone
CID 43562198
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone
CID 119413490
[2-(bromomethyl)morpholin-4-yl]-(5-bromothiophen-2-yl)methanone
CID 81211705
1-[2-(5-bromothiophen-2-yl)acetyl]piperidine-4-carboxylic acid
CID 119166508
2-ethylmorpholine-4-carboxylic acid
CID 121455686
1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 91790975
1-[(2S)-2-ethylmorpholin-4-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 38000464
(2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone
CID 122134424
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571
4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoic acid
CID 119182801
(2S)-N-[(5-bromothiophen-3-yl)methyl]-2-ethylmorpholine-4-carboxamide
CID 97097732

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone (CID 96547494) is 2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone is CC[C@H]1CN(C(=O)Cc2ccc(Br)s2)CCO1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone?
The InChIKey is OHOMBWFKLIXIAD-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-2-9-8-14(5-6-16-9)12(15)7-10-3-4-11(13)17-10/h3-4,9H,2,5-8H2,1H3/t9-/m0/s1.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone?
2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone has a molecular weight of 318.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 96547494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).