1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone

C11H16BrNO2S — CID 61452201

IUPAC1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
SMILESCOCC(C)N(C)CC(=O)c1sccc1Br
InChIInChI=1S/C11H16BrNO2S/c1-8(7-15-3)13(2)6-10(14)11-9(12)4-5-16-11/h4-5,8H,6-7H2,1-3H3
InChIKeyIPBXWJGZYMRUSM-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.66
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone

1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone (PubChem CID 61452201) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
PubChem CID61452201
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
SMILESCOCC(C)N(C)CC(=O)c1sccc1Br
InChIInChI=1S/C11H16BrNO2S/c1-8(7-15-3)13(2)6-10(14)11-9(12)4-5-16-11/h4-5,8H,6-7H2,1-3H3
InChIKeyIPBXWJGZYMRUSM-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999884
2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone
CID 61451901
2-[1-methoxypropan-2-yl(methyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 61451983
3-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]propanenitrile
CID 55170555
2-[bis(3-methylbutyl)amino]-1-(3-bromothiophen-2-yl)ethanone
CID 107870487
3-[[2-(3-bromothiophen-2-yl)-2-oxoethyl]-methylamino]propanenitrile
CID 62052324
3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 82951468
1-(3-bromothiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone
CID 103403696
1-(3-bromothiophen-2-yl)-2-butan-2-ylsulfanylethanone
CID 43654797
1-(3-bromothiophen-2-yl)-5-methylhexan-1-one
CID 115795448
1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 54946377
1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 61452057

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone (CID 61452201) is 1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone is COCC(C)N(C)CC(=O)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone?
The InChIKey is IPBXWJGZYMRUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-8(7-15-3)13(2)6-10(14)11-9(12)4-5-16-11/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone?
1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone has a molecular weight of 306.23 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone is sourced from PubChem (CID 61452201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).