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

C9H12BrNOS — CID 116554721

IUPAC2-amino-1-(4-bromothiophen-3-yl)pentan-1-one
SMILESCCCC(N)C(=O)c1cscc1Br
InChIInChI=1S/C9H12BrNOS/c1-2-3-8(11)9(12)6-4-13-5-7(6)10/h4-5,8H,2-3,11H2,1H3
InChIKeyCQQMJHRHZJDFBF-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.82
Rot. Bonds4

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

2-amino-1-(4-bromothiophen-3-yl)pentan-1-one (PubChem CID 116554721) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 2-amino-1-(4-bromothiophen-3-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-bromothiophen-3-yl)pentan-1-one
PubChem CID116554721
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name2-amino-1-(4-bromothiophen-3-yl)pentan-1-one
SMILESCCCC(N)C(=O)c1cscc1Br
InChIInChI=1S/C9H12BrNOS/c1-2-3-8(11)9(12)6-4-13-5-7(6)10/h4-5,8H,2-3,11H2,1H3
InChIKeyCQQMJHRHZJDFBF-UHFFFAOYSA-N
XLogP2.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one
CID 116593844
2-(aminomethyl)-1-(4-bromothiophen-3-yl)butan-1-one
CID 116575230
2-amino-1-(4-bromothiophen-3-yl)-3-phenylpropan-1-one
CID 116552564
4-amino-1-(4-bromothiophen-3-yl)pentan-1-one
CID 116571770
2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone
CID 116551297
2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one
CID 106763933
5-amino-1-(4-bromothiophen-3-yl)hexan-1-one
CID 116610226
1-(4-bromothiophen-3-yl)-4-methylpentan-1-one
CID 79596702
2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone
CID 116601655
1-(4-bromothiophen-3-yl)-2-butan-2-ylsulfanylethanone
CID 79596052
1-(4-bromothiophen-3-yl)-2-methoxy-3-methylbutan-1-one
CID 116708424
2-(aminomethyl)-1-(4-bromothiophen-3-yl)-2-ethylbutan-1-one
CID 116603910

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromothiophen-3-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(4-bromothiophen-3-yl)pentan-1-one (CID 116554721) is 2-amino-1-(4-bromothiophen-3-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(4-bromothiophen-3-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(4-bromothiophen-3-yl)pentan-1-one is CCCC(N)C(=O)c1cscc1Br.
What is the InChIKey of 2-amino-1-(4-bromothiophen-3-yl)pentan-1-one?
The InChIKey is CQQMJHRHZJDFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-2-3-8(11)9(12)6-4-13-5-7(6)10/h4-5,8H,2-3,11H2,1H3.
What are the key properties of 2-amino-1-(4-bromothiophen-3-yl)pentan-1-one?
2-amino-1-(4-bromothiophen-3-yl)pentan-1-one has a molecular weight of 262.17 g/mol, XLogP of 2.82, 4 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)pentan-1-one is sourced from PubChem (CID 116554721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).