1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone

C8H10BrNOS — CID 43794754

IUPAC1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)c1ccc(Br)s1
InChIInChI=1S/C8H10BrNOS/c1-10(2)5-6(11)7-3-4-8(9)12-7/h3-4H,5H2,1-2H3
InChIKeyQDUPHOOYDBTNFZ-UHFFFAOYSA-N
MW248.14 g/mol
LogP2.25
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone

1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone (PubChem CID 43794754) has the molecular formula C8H10BrNOS and a molecular weight of 248.14 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
PubChem CID43794754
Molecular FormulaC8H10BrNOS
Molecular Weight248.14 g/mol
Exact Mass246.97
IUPAC Name1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)c1ccc(Br)s1
InChIInChI=1S/C8H10BrNOS/c1-10(2)5-6(11)7-3-4-8(9)12-7/h3-4H,5H2,1-2H3
InChIKeyQDUPHOOYDBTNFZ-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964423
1-(5-bromothiophen-2-yl)-2-[methyl(pentan-2-yl)amino]ethanone
CID 43796956
1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone
CID 63567722
2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone
CID 62051248
1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008744
1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860457
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631
1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
CID 61446500
1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 62036953
2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
CID 62036527
2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 60681800
5-[2-(dimethylamino)acetyl]thiophene-2-carbonitrile
CID 55297411

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone (CID 43794754) is 1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone is CN(C)CC(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone?
The InChIKey is QDUPHOOYDBTNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c1-10(2)5-6(11)7-3-4-8(9)12-7/h3-4H,5H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone?
1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone has a molecular weight of 248.14 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 43794754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).