2-amino-1-(4-bromothiophen-3-yl)propan-1-one

C7H8BrNOS — CID 116551796

IUPAC2-amino-1-(4-bromothiophen-3-yl)propan-1-one
SMILESCC(N)C(=O)c1cscc1Br
InChIInChI=1S/C7H8BrNOS/c1-4(9)7(10)5-2-11-3-6(5)8/h2-4H,9H2,1H3
InChIKeyOLPNIOCORYZUDA-UHFFFAOYSA-N
MW234.12 g/mol
LogP2.04
Rot. Bonds2

About 2-amino-1-(4-bromothiophen-3-yl)propan-1-one

2-amino-1-(4-bromothiophen-3-yl)propan-1-one (PubChem CID 116551796) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is 2-amino-1-(4-bromothiophen-3-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-bromothiophen-3-yl)propan-1-one
PubChem CID116551796
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name2-amino-1-(4-bromothiophen-3-yl)propan-1-one
SMILESCC(N)C(=O)c1cscc1Br
InChIInChI=1S/C7H8BrNOS/c1-4(9)7(10)5-2-11-3-6(5)8/h2-4H,9H2,1H3
InChIKeyOLPNIOCORYZUDA-UHFFFAOYSA-N
XLogP2.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromothiophen-3-yl)propan-1-one?
The IUPAC name of 2-amino-1-(4-bromothiophen-3-yl)propan-1-one (CID 116551796) is 2-amino-1-(4-bromothiophen-3-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(4-bromothiophen-3-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(4-bromothiophen-3-yl)propan-1-one is CC(N)C(=O)c1cscc1Br.
What is the InChIKey of 2-amino-1-(4-bromothiophen-3-yl)propan-1-one?
The InChIKey is OLPNIOCORYZUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c1-4(9)7(10)5-2-11-3-6(5)8/h2-4H,9H2,1H3.
What are the key properties of 2-amino-1-(4-bromothiophen-3-yl)propan-1-one?
2-amino-1-(4-bromothiophen-3-yl)propan-1-one has a molecular weight of 234.12 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromothiophen-3-yl)propan-1-one is sourced from PubChem (CID 116551796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).