1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one

C11H16BrNOS — CID 116923505

IUPAC1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one
SMILESCNCC(C(=O)c1ccc(Br)s1)C(C)C
InChIInChI=1S/C11H16BrNOS/c1-7(2)8(6-13-3)11(14)9-4-5-10(12)15-9/h4-5,7-8,13H,6H2,1-3H3
InChIKeyXOXZZYZHLQDCSR-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.18
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one

1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one (PubChem CID 116923505) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one
PubChem CID116923505
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one
SMILESCNCC(C(=O)c1ccc(Br)s1)C(C)C
InChIInChI=1S/C11H16BrNOS/c1-7(2)8(6-13-3)11(14)9-4-5-10(12)15-9/h4-5,7-8,13H,6H2,1-3H3
InChIKeyXOXZZYZHLQDCSR-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826737
N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
CID 115187675
1-(5-bromothiophen-2-yl)-2-chloropropan-1-one
CID 61103388
1-(5-bromothiophen-2-yl)-2-(1,1-dihydroxyethylamino)propan-1-one
CID 140598923
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide
CID 79195708
5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 114305407
methyl 3-(5-bromothiophen-2-yl)-2-chloro-3-oxopropanoate
CID 82490118
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631
2-[[(5-bromothiophen-2-yl)methylamino]methyl]-3-methylbutanoic acid
CID 115250321
5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide
CID 106355067
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one (CID 116923505) is 1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one is CNCC(C(=O)c1ccc(Br)s1)C(C)C.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one?
The InChIKey is XOXZZYZHLQDCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-7(2)8(6-13-3)11(14)9-4-5-10(12)15-9/h4-5,7-8,13H,6H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one?
1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one has a molecular weight of 290.23 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one is sourced from PubChem (CID 116923505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).