1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone

C12H18BrNOS — CID 63964423

IUPAC1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
SMILESCCC(C)(C)N(C)CC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H18BrNOS/c1-5-12(2,3)14(4)8-9(15)10-6-7-11(13)16-10/h6-7H,5,8H2,1-4H3
InChIKeyHMMNNPYYNHTICR-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.81
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone

1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone (PubChem CID 63964423) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
PubChem CID63964423
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
SMILESCCC(C)(C)N(C)CC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H18BrNOS/c1-5-12(2,3)14(4)8-9(15)10-6-7-11(13)16-10/h6-7H,5,8H2,1-4H3
InChIKeyHMMNNPYYNHTICR-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754
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CID 43796956
1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone
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CID 62051248
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CID 42614631
1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
CID 61446500
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CID 62036953
2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
CID 62036527
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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone (CID 63964423) is 1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone is CCC(C)(C)N(C)CC(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone?
The InChIKey is HMMNNPYYNHTICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-5-12(2,3)14(4)8-9(15)10-6-7-11(13)16-10/h6-7H,5,8H2,1-4H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone?
1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone has a molecular weight of 304.25 g/mol, XLogP of 3.81, 5 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-[methyl(2-methylbutan-2-yl)amino]ethanone is sourced from PubChem (CID 63964423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).