1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone

C12H15BrO3S2 — CID 64637362

IUPAC1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone
SMILESO=C(CS(=O)(=O)CC1CCCC1)c1ccc(Br)s1
InChIInChI=1S/C12H15BrO3S2/c13-12-6-5-11(17-12)10(14)8-18(15,16)7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2
InChIKeyBHXUIPBOJBCXEW-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.30
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone

1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone (PubChem CID 64637362) has the molecular formula C12H15BrO3S2 and a molecular weight of 351.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone
PubChem CID64637362
Molecular FormulaC12H15BrO3S2
Molecular Weight351.29 g/mol
Exact Mass349.96
IUPAC Name1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone
SMILESO=C(CS(=O)(=O)CC1CCCC1)c1ccc(Br)s1
InChIInChI=1S/C12H15BrO3S2/c13-12-6-5-11(17-12)10(14)8-18(15,16)7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2
InChIKeyBHXUIPBOJBCXEW-UHFFFAOYSA-N
XLogP3.30
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)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

1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one
CID 61103392
1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
CID 61446500
1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860457
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
(5-bromothiophen-2-yl)-cyclooctylmethanone
CID 65018784
5-bromothiophene-2-carboxylic acid;tricyclohexylstannane
CID 175022790
5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide
CID 80659510
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide
CID 62067638
(5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421504
5-bromo-N-cyclopentyloxythiophene-2-carboxamide
CID 83202790
1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one
CID 82291001
1-(5-bromothiophen-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethanone
CID 64642312

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone (CID 64637362) is 1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone is O=C(CS(=O)(=O)CC1CCCC1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone?
The InChIKey is BHXUIPBOJBCXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3S2/c13-12-6-5-11(17-12)10(14)8-18(15,16)7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone?
1-(5-bromothiophen-2-yl)-2-(cyclopentylmethylsulfonyl)ethanone has a molecular weight of 351.29 g/mol, XLogP of 3.30, 5 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-(cyclopentylmethylsulfonyl)ethanone is sourced from PubChem (CID 64637362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).