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

C9H12BrNOS — CID 82302526

IUPAC2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)c1cc(Br)cs1
InChIInChI=1S/C9H12BrNOS/c1-5(2)8(11)9(12)7-3-6(10)4-13-7/h3-5,8H,11H2,1-2H3
InChIKeyJAYDOHZOOIOFJC-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.68
Rot. Bonds3

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

2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-one (PubChem CID 82302526) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-one
PubChem CID82302526
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)c1cc(Br)cs1
InChIInChI=1S/C9H12BrNOS/c1-5(2)8(11)9(12)7-3-6(10)4-13-7/h3-5,8H,11H2,1-2H3
InChIKeyJAYDOHZOOIOFJC-UHFFFAOYSA-N
XLogP2.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-bromothiophene-2-carboxamide
CID 119585627
4-bromo-2-prop-1-en-2-ylthiophene
CID 107355349
methyl 2-[amino-(4-bromothiophen-2-yl)methyl]-3-methylbutanoate
CID 116946092
4-(4-bromothiophen-2-yl)-2-methyl-4-oxobutanoic acid
CID 116918430
2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one
CID 19810433
argon;methyl 4-bromothiophene-2-carboxylate
CID 146371918
2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid
CID 82489807
3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide
CID 80552252
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone
CID 82294562
2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol
CID 21152201
(4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone
CID 131043283

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-one?
The IUPAC name of 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-one (CID 82302526) is 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-one is CC(C)C(N)C(=O)c1cc(Br)cs1.
What is the InChIKey of 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-one?
The InChIKey is JAYDOHZOOIOFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-5(2)8(11)9(12)7-3-6(10)4-13-7/h3-5,8H,11H2,1-2H3.
What are the key properties of 2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-one?
2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-one has a molecular weight of 262.17 g/mol, XLogP of 2.68, 3 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-2-yl)-3-methylbutan-1-one is sourced from PubChem (CID 82302526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).