1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone

C9H10BrNOS — CID 116555084

IUPAC1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone
SMILESO=C(CNC1CC1)c1sccc1Br
InChIInChI=1S/C9H10BrNOS/c10-7-3-4-13-9(7)8(12)5-11-6-1-2-6/h3-4,6,11H,1-2,5H2
InChIKeyHKIUCBBYFKHTGA-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.45
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone

1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone (PubChem CID 116555084) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone
PubChem CID116555084
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone
SMILESO=C(CNC1CC1)c1sccc1Br
InChIInChI=1S/C9H10BrNOS/c10-7-3-4-13-9(7)8(12)5-11-6-1-2-6/h3-4,6,11H,1-2,5H2
InChIKeyHKIUCBBYFKHTGA-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone (CID 116555084) is 1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone is O=C(CNC1CC1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone?
The InChIKey is HKIUCBBYFKHTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c10-7-3-4-13-9(7)8(12)5-11-6-1-2-6/h3-4,6,11H,1-2,5H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone?
1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone has a molecular weight of 260.16 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone is sourced from PubChem (CID 116555084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).