2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone

C12H14Br2O2S2 — CID 64640785

IUPAC2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone
SMILESO=C(CS(=O)CC1CCCC1)c1cc(Br)sc1Br
InChIInChI=1S/C12H14Br2O2S2/c13-11-5-9(12(14)17-11)10(15)7-18(16)6-8-3-1-2-4-8/h5,8H,1-4,6-7H2
InChIKeyQOTAQXFTGSWYLR-UHFFFAOYSA-N
MW414.18 g/mol
LogP4.39
Rot. Bonds5

About 2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone

2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone (PubChem CID 64640785) has the molecular formula C12H14Br2O2S2 and a molecular weight of 414.18 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone
PubChem CID64640785
Molecular FormulaC12H14Br2O2S2
Molecular Weight414.18 g/mol
Exact Mass411.88
IUPAC Name2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone
SMILESO=C(CS(=O)CC1CCCC1)c1cc(Br)sc1Br
InChIInChI=1S/C12H14Br2O2S2/c13-11-5-9(12(14)17-11)10(15)7-18(16)6-8-3-1-2-4-8/h5,8H,1-4,6-7H2
InChIKeyQOTAQXFTGSWYLR-UHFFFAOYSA-N
XLogP4.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.18
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone
CID 43344907
N-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide
CID 114233112
2-(cycloheptylmethoxy)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 114248654
1-(3-bromophenyl)-2-(cyclopentylmethylsulfinyl)ethanone
CID 64640185
2-(cyclopentylmethylsulfinyl)-1-phenylethanone
CID 64640784
1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636293
1-(2,5-dibromothiophen-3-yl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114225680
cycloheptyl-(2,5-dibromothiophen-3-yl)methanone
CID 63491664
cyclooctyl-(2,5-dibromothiophen-3-yl)methanone
CID 65018538
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone
CID 64640545
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 43228989
1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone
CID 43227146

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone?
The IUPAC name of 2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone (CID 64640785) is 2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone.
What is the SMILES notation for 2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone?
The canonical SMILES for 2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone is O=C(CS(=O)CC1CCCC1)c1cc(Br)sc1Br.
What is the InChIKey of 2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone?
The InChIKey is QOTAQXFTGSWYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2O2S2/c13-11-5-9(12(14)17-11)10(15)7-18(16)6-8-3-1-2-4-8/h5,8H,1-4,6-7H2.
What are the key properties of 2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone?
2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone has a molecular weight of 414.18 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfinyl)-1-(2,5-dibromothiophen-3-yl)ethanone is sourced from PubChem (CID 64640785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).