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

C14H20BrNOS — CID 61446500

IUPAC1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(Br)s1)CC1CCCCC1
InChIInChI=1S/C14H20BrNOS/c1-16(9-11-5-3-2-4-6-11)10-12(17)13-7-8-14(15)18-13/h7-8,11H,2-6,9-10H2,1H3
InChIKeyQGQVYOAKVPIZPP-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.21
Rot. Bonds5

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

1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone (PubChem CID 61446500) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
PubChem CID61446500
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(Br)s1)CC1CCCCC1
InChIInChI=1S/C14H20BrNOS/c1-16(9-11-5-3-2-4-6-11)10-12(17)13-7-8-14(15)18-13/h7-8,11H,2-6,9-10H2,1H3
InChIKeyQGQVYOAKVPIZPP-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860457
2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62860809
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one
CID 61103392
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
2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 55226241
1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone
CID 64637362
2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 63631436
1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008744
2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 61446447
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide
CID 62067638

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone (CID 61446500) is 1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone is CN(CC(=O)c1ccc(Br)s1)CC1CCCCC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone?
The InChIKey is QGQVYOAKVPIZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-16(9-11-5-3-2-4-6-11)10-12(17)13-7-8-14(15)18-13/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone?
1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone has a molecular weight of 330.29 g/mol, XLogP of 4.21, 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-[cyclohexylmethyl(methyl)amino]ethanone is sourced from PubChem (CID 61446500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).