1-(3-bromothiophen-2-yl)-2-morpholin-2-ylethanone

C10H12BrNO2S — CID 116586222

IUPAC1-(3-bromothiophen-2-yl)-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)c1sccc1Br
InChIInChI=1S/C10H12BrNO2S/c11-8-1-4-15-10(8)9(13)5-7-6-12-2-3-14-7/h1,4,7,12H,2-3,5-6H2
InChIKeyYPUMJOUMBSVRFE-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.07
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-morpholin-2-ylethanone

1-(3-bromothiophen-2-yl)-2-morpholin-2-ylethanone (PubChem CID 116586222) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-morpholin-2-ylethanone
PubChem CID116586222
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name1-(3-bromothiophen-2-yl)-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)c1sccc1Br
InChIInChI=1S/C10H12BrNO2S/c11-8-1-4-15-10(8)9(13)5-7-6-12-2-3-14-7/h1,4,7,12H,2-3,5-6H2
InChIKeyYPUMJOUMBSVRFE-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-morpholin-2-ylethanone
CID 116919972
1-(4-chlorophenyl)-2-morpholin-2-ylethanone
CID 116586223
N-ethyl-2-morpholin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 66427854
2-morpholin-2-yl-1-(4-phenylphenyl)ethanone
CID 116586201
N-(5-bromo-2-methylphenyl)-N-methyl-2-morpholin-2-ylacetamide
CID 115178201
3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid
CID 66429537
N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119730032
N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide
CID 66427265
2-morpholin-2-yl-N-thiophen-3-ylacetamide;hydrochloride
CID 119788958
1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone
CID 105396502
1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone
CID 116586161
N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 103808527

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-morpholin-2-ylethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-morpholin-2-ylethanone (CID 116586222) is 1-(3-bromothiophen-2-yl)-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-morpholin-2-ylethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-morpholin-2-ylethanone is O=C(CC1CNCCO1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-morpholin-2-ylethanone?
The InChIKey is YPUMJOUMBSVRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-8-1-4-15-10(8)9(13)5-7-6-12-2-3-14-7/h1,4,7,12H,2-3,5-6H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-morpholin-2-ylethanone?
1-(3-bromothiophen-2-yl)-2-morpholin-2-ylethanone has a molecular weight of 290.18 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-morpholin-2-ylethanone is sourced from PubChem (CID 116586222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).