2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone

C11H12Cl2O2S2 — CID 64639379

IUPAC2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone
SMILESO=C(CS(=O)C1CCCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H12Cl2O2S2/c12-10-5-8(11(13)16-10)9(14)6-17(15)7-3-1-2-4-7/h5,7H,1-4,6H2
InChIKeyXOASMUXXXBQSCL-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.93
Rot. Bonds4

About 2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone

2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone (PubChem CID 64639379) has the molecular formula C11H12Cl2O2S2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone
PubChem CID64639379
Molecular FormulaC11H12Cl2O2S2
Molecular Weight311.26 g/mol
Exact Mass309.97
IUPAC Name2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone
SMILESO=C(CS(=O)C1CCCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H12Cl2O2S2/c12-10-5-8(11(13)16-10)9(14)6-17(15)7-3-1-2-4-7/h5,7H,1-4,6H2
InChIKeyXOASMUXXXBQSCL-UHFFFAOYSA-N
XLogP3.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
CID 107764329
2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 64635343
2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 103162435
1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone
CID 64639174
2-cyclopentylsulfinyl-1-(2-fluorophenyl)ethanone
CID 64639778
1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone
CID 64640953
2-cyclobutyloxy-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 62139898
2-cyclopentylsulfinyl-1-phenylethanone
CID 64639576
1-(2,5-dichlorothiophen-3-yl)-2-(2,4-difluorophenyl)sulfinylethanone
CID 64640302
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 102727232
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 43228932
1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone
CID 107962795

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone?
The IUPAC name of 2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone (CID 64639379) is 2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone.
What is the SMILES notation for 2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone?
The canonical SMILES for 2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone is O=C(CS(=O)C1CCCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone?
The InChIKey is XOASMUXXXBQSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2S2/c12-10-5-8(11(13)16-10)9(14)6-17(15)7-3-1-2-4-7/h5,7H,1-4,6H2.
What are the key properties of 2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone?
2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone has a molecular weight of 311.26 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone is sourced from PubChem (CID 64639379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).