3-amino-1-(4-bromothiophen-3-yl)-2,2,3-trimethylbutan-1-one

C11H16BrNOS — CID 116573728

IUPAC3-amino-1-(4-bromothiophen-3-yl)-2,2,3-trimethylbutan-1-one
SMILESCC(C)(N)C(C)(C)C(=O)c1cscc1Br
InChIInChI=1S/C11H16BrNOS/c1-10(2,11(3,4)13)9(14)7-5-15-6-8(7)12/h5-6H,13H2,1-4H3
InChIKeyUIUNVGMUGTYTBQ-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.46
Rot. Bonds3

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

3-amino-1-(4-bromothiophen-3-yl)-2,2,3-trimethylbutan-1-one (PubChem CID 116573728) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 3-amino-1-(4-bromothiophen-3-yl)-2,2,3-trimethylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-bromothiophen-3-yl)-2,2,3-trimethylbutan-1-one
PubChem CID116573728
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name3-amino-1-(4-bromothiophen-3-yl)-2,2,3-trimethylbutan-1-one
SMILESCC(C)(N)C(C)(C)C(=O)c1cscc1Br
InChIInChI=1S/C11H16BrNOS/c1-10(2,11(3,4)13)9(14)7-5-15-6-8(7)12/h5-6H,13H2,1-4H3
InChIKeyUIUNVGMUGTYTBQ-UHFFFAOYSA-N
XLogP3.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(4-bromothiophen-3-yl)-2,2,3-trimethylbutan-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

Related Compounds

1-(4-bromothiophen-3-yl)-2-methyl-2-(methylamino)propan-1-one
CID 116566507
1-(4-bromothiophen-3-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79595184
2-(aminomethyl)-1-(4-bromothiophen-3-yl)-2-ethylbutan-1-one
CID 116603910
1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 79595185
1-(4-bromothiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79595295
1-(4-bromothiophen-3-yl)-2-methoxy-3-methylbutan-1-one
CID 116708424
4-(2-aminoethyl)-1-(4-bromothiophen-3-yl)-5,5-dimethylhexan-1-one
CID 116578526
(1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone
CID 116576694
(4-bromothiophen-3-yl)-(4-tert-butylcyclohexyl)methanone
CID 79595403
1-(4-bromothiophen-3-yl)-3,5,5-trimethylhexan-1-one
CID 115784113
1-(4-bromothiophen-3-yl)-3,3,3-trifluoropropan-1-one
CID 79596487
2-(aminomethyl)-1-(4-bromothiophen-3-yl)butan-1-one
CID 116575230

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromothiophen-3-yl)-2,2,3-trimethylbutan-1-one?
The IUPAC name of 3-amino-1-(4-bromothiophen-3-yl)-2,2,3-trimethylbutan-1-one (CID 116573728) is 3-amino-1-(4-bromothiophen-3-yl)-2,2,3-trimethylbutan-1-one.
What is the SMILES notation for 3-amino-1-(4-bromothiophen-3-yl)-2,2,3-trimethylbutan-1-one?
The canonical SMILES for 3-amino-1-(4-bromothiophen-3-yl)-2,2,3-trimethylbutan-1-one is CC(C)(N)C(C)(C)C(=O)c1cscc1Br.
What is the InChIKey of 3-amino-1-(4-bromothiophen-3-yl)-2,2,3-trimethylbutan-1-one?
The InChIKey is UIUNVGMUGTYTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-10(2,11(3,4)13)9(14)7-5-15-6-8(7)12/h5-6H,13H2,1-4H3.
What are the key properties of 3-amino-1-(4-bromothiophen-3-yl)-2,2,3-trimethylbutan-1-one?
3-amino-1-(4-bromothiophen-3-yl)-2,2,3-trimethylbutan-1-one has a molecular weight of 290.23 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromothiophen-3-yl)-2,2,3-trimethylbutan-1-one is sourced from PubChem (CID 116573728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).