1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone

C11H16BrNO2S — CID 63008744

IUPAC1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
SMILESCOCCCN(C)CC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-13(6-3-7-15-2)8-9(14)10-4-5-11(12)16-10/h4-5H,3,6-8H2,1-2H3
InChIKeyFJOXHMLFFHHOHJ-UHFFFAOYSA-N
MW306.22 g/mol
LogP2.66
Rot. Bonds7

About 1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone

1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone (PubChem CID 63008744) has the molecular formula C11H16BrNO2S and a molecular weight of 306.22 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
PubChem CID63008744
Molecular FormulaC11H16BrNO2S
Molecular Weight306.22 g/mol
Exact Mass305.01
IUPAC Name1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
SMILESCOCCCN(C)CC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-13(6-3-7-15-2)8-9(14)10-4-5-11(12)16-10/h4-5H,3,6-8H2,1-2H3
InChIKeyFJOXHMLFFHHOHJ-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone
CID 82950806
5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)thiophene-2-carboxamide
CID 61073233
1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754
1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860457
1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008925
1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
CID 61446500
1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 62036953
2-[bis(2-hydroxyethyl)amino]-1-(5-bromothiophen-2-yl)ethanone
CID 62051248
1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008571
2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 60681800
2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
CID 62036527
1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964423

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone (CID 63008744) is 1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone is COCCCN(C)CC(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone?
The InChIKey is FJOXHMLFFHHOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-13(6-3-7-15-2)8-9(14)10-4-5-11(12)16-10/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone?
1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone has a molecular weight of 306.22 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone is sourced from PubChem (CID 63008744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).