1-(3-bromophenyl)-2-cyclopentylsulfinylethanone

C13H15BrO2S — CID 64639173

IUPAC1-(3-bromophenyl)-2-cyclopentylsulfinylethanone
SMILESO=C(CS(=O)C1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C13H15BrO2S/c14-11-5-3-4-10(8-11)13(15)9-17(16)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2
InChIKeyCHULKUXCHJZJAQ-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.32
Rot. Bonds4

About 1-(3-bromophenyl)-2-cyclopentylsulfinylethanone

1-(3-bromophenyl)-2-cyclopentylsulfinylethanone (PubChem CID 64639173) has the molecular formula C13H15BrO2S and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-cyclopentylsulfinylethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-cyclopentylsulfinylethanone
PubChem CID64639173
Molecular FormulaC13H15BrO2S
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC Name1-(3-bromophenyl)-2-cyclopentylsulfinylethanone
SMILESO=C(CS(=O)C1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C13H15BrO2S/c14-11-5-3-4-10(8-11)13(15)9-17(16)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2
InChIKeyCHULKUXCHJZJAQ-UHFFFAOYSA-N
XLogP3.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-cyclohexylsulfinylethanone
CID 64639949
1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone
CID 64635308
1-(3-bromophenyl)-2-(cyclopentylmethylsulfinyl)ethanone
CID 64640185
1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone
CID 64640953
2-cyclopentylsulfinyl-1-phenylethanone
CID 64639576
1-(3-bromophenyl)-2-cyclopentylethanone
CID 62620769
1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone
CID 64639174
1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone
CID 64639156
1-(3-bromophenyl)-2-cyclohexylsulfanylethanone
CID 60645355
1-(3-bromophenyl)-2-(cyclopentylmethylsulfanyl)ethanone
CID 63119723
[2-(3-bromophenyl)-2-oxoethyl] cyclopentanecarboxylate
CID 23939872
1-(3-bromophenyl)butan-1-one
CID 18417701

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-cyclopentylsulfinylethanone?
The IUPAC name of 1-(3-bromophenyl)-2-cyclopentylsulfinylethanone (CID 64639173) is 1-(3-bromophenyl)-2-cyclopentylsulfinylethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-cyclopentylsulfinylethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-cyclopentylsulfinylethanone is O=C(CS(=O)C1CCCC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-cyclopentylsulfinylethanone?
The InChIKey is CHULKUXCHJZJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2S/c14-11-5-3-4-10(8-11)13(15)9-17(16)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2.
What are the key properties of 1-(3-bromophenyl)-2-cyclopentylsulfinylethanone?
1-(3-bromophenyl)-2-cyclopentylsulfinylethanone has a molecular weight of 315.23 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-cyclopentylsulfinylethanone is sourced from PubChem (CID 64639173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).