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

C12H16BrNOS — CID 62860457

IUPAC1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(Br)s1)CC1CCC1
InChIInChI=1S/C12H16BrNOS/c1-14(7-9-3-2-4-9)8-10(15)11-5-6-12(13)16-11/h5-6,9H,2-4,7-8H2,1H3
InChIKeyWBUZWUZDLKSISR-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.43
Rot. Bonds5

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

1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone (PubChem CID 62860457) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone
PubChem CID62860457
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(Br)s1)CC1CCC1
InChIInChI=1S/C12H16BrNOS/c1-14(7-9-3-2-4-9)8-10(15)11-5-6-12(13)16-11/h5-6,9H,2-4,7-8H2,1H3
InChIKeyWBUZWUZDLKSISR-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
CID 61446500
2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62860809
1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 60984356
2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 60681800
1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one
CID 61103392
2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 55226241
1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008744
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
1-(5-bromothiophen-2-yl)-2-[ethyl(oxolan-2-ylmethyl)amino]ethanone
CID 61434786
1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 62036953
1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone
CID 64637362

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone (CID 62860457) is 1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone is CN(CC(=O)c1ccc(Br)s1)CC1CCC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone?
The InChIKey is WBUZWUZDLKSISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-14(7-9-3-2-4-9)8-10(15)11-5-6-12(13)16-11/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone?
1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone has a molecular weight of 302.24 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone is sourced from PubChem (CID 62860457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).