1-(5-bromothiophen-3-yl)-2-(methylamino)ethanone

C7H8BrNOS — CID 96896761

IUPAC1-(5-bromothiophen-3-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1csc(Br)c1
InChIInChI=1S/C7H8BrNOS/c1-9-3-6(10)5-2-7(8)11-4-5/h2,4,9H,3H2,1H3
InChIKeyFLRNPKUWRCHHTO-UHFFFAOYSA-N
MW234.12 g/mol
LogP1.91
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-2-(methylamino)ethanone

1-(5-bromothiophen-3-yl)-2-(methylamino)ethanone (PubChem CID 96896761) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(methylamino)ethanone
PubChem CID96896761
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name1-(5-bromothiophen-3-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1csc(Br)c1
InChIInChI=1S/C7H8BrNOS/c1-9-3-6(10)5-2-7(8)11-4-5/h2,4,9H,3H2,1H3
InChIKeyFLRNPKUWRCHHTO-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(methylamino)ethanone (CID 96896761) is 1-(5-bromothiophen-3-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(methylamino)ethanone is CNCC(=O)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(methylamino)ethanone?
The InChIKey is FLRNPKUWRCHHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c1-9-3-6(10)5-2-7(8)11-4-5/h2,4,9H,3H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(methylamino)ethanone?
1-(5-bromothiophen-3-yl)-2-(methylamino)ethanone has a molecular weight of 234.12 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 96896761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).