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

C10H14BrNOS — CID 116552852

IUPAC2-amino-1-(4-bromothiophen-3-yl)-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)c1cscc1Br
InChIInChI=1S/C10H14BrNOS/c1-3-6(2)9(12)10(13)7-4-14-5-8(7)11/h4-6,9H,3,12H2,1-2H3
InChIKeyQQBAVVMIFSXPJV-UHFFFAOYSA-N
MW276.20 g/mol
LogP3.07
Rot. Bonds4

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

2-amino-1-(4-bromothiophen-3-yl)-3-methylpentan-1-one (PubChem CID 116552852) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 2-amino-1-(4-bromothiophen-3-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-bromothiophen-3-yl)-3-methylpentan-1-one
PubChem CID116552852
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name2-amino-1-(4-bromothiophen-3-yl)-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)c1cscc1Br
InChIInChI=1S/C10H14BrNOS/c1-3-6(2)9(12)10(13)7-4-14-5-8(7)11/h4-6,9H,3,12H2,1-2H3
InChIKeyQQBAVVMIFSXPJV-UHFFFAOYSA-N
XLogP3.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(4-bromothiophen-3-yl)-3-methylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromothiophen-3-yl)-3-methylpentan-1-one?
The IUPAC name of 2-amino-1-(4-bromothiophen-3-yl)-3-methylpentan-1-one (CID 116552852) is 2-amino-1-(4-bromothiophen-3-yl)-3-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(4-bromothiophen-3-yl)-3-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(4-bromothiophen-3-yl)-3-methylpentan-1-one is CCC(C)C(N)C(=O)c1cscc1Br.
What is the InChIKey of 2-amino-1-(4-bromothiophen-3-yl)-3-methylpentan-1-one?
The InChIKey is QQBAVVMIFSXPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-3-6(2)9(12)10(13)7-4-14-5-8(7)11/h4-6,9H,3,12H2,1-2H3.
What are the key properties of 2-amino-1-(4-bromothiophen-3-yl)-3-methylpentan-1-one?
2-amino-1-(4-bromothiophen-3-yl)-3-methylpentan-1-one has a molecular weight of 276.20 g/mol, XLogP of 3.07, 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)-3-methylpentan-1-one is sourced from PubChem (CID 116552852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).