ethyl 3-cyclopentylsulfinylbutanoate

C11H20O3S — CID 63115480

IUPACethyl 3-cyclopentylsulfinylbutanoate
SMILESCCOC(=O)CC(C)S(=O)C1CCCC1
InChIInChI=1S/C11H20O3S/c1-3-14-11(12)8-9(2)15(13)10-6-4-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyPZNRFFSZKYGLKI-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.02
Rot. Bonds5

About ethyl 3-cyclopentylsulfinylbutanoate

ethyl 3-cyclopentylsulfinylbutanoate (PubChem CID 63115480) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is ethyl 3-cyclopentylsulfinylbutanoate.

Molecular Properties

Compound Nameethyl 3-cyclopentylsulfinylbutanoate
PubChem CID63115480
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Nameethyl 3-cyclopentylsulfinylbutanoate
SMILESCCOC(=O)CC(C)S(=O)C1CCCC1
InChIInChI=1S/C11H20O3S/c1-3-14-11(12)8-9(2)15(13)10-6-4-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyPZNRFFSZKYGLKI-UHFFFAOYSA-N
XLogP2.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-cyclohexylsulfinylpropanoate
CID 11436210
ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
CID 81391748
ethyl 3-cyclopropylbutanoate
CID 47078610
ethyl 3-cyclopentylsulfonylbutanoate
CID 63114568
ethyl 3-(cyclohexylmethoxy)butanoate
CID 115003091
3-(4-methylcyclohexyl)sulfinylbutanoic acid
CID 66113705
propan-2-yl 2-cyclopentylsulfinyl-2-propylsulfanylacetate
CID 87830218
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl 3-(4-hydroxypiperidin-1-yl)butanoate
CID 56994099
ethyl 2-(2-propan-2-ylcyclohexyl)acetate
CID 58689217
(2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate
CID 68576140

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopentylsulfinylbutanoate?
The IUPAC name of ethyl 3-cyclopentylsulfinylbutanoate (CID 63115480) is ethyl 3-cyclopentylsulfinylbutanoate.
What is the SMILES notation for ethyl 3-cyclopentylsulfinylbutanoate?
The canonical SMILES for ethyl 3-cyclopentylsulfinylbutanoate is CCOC(=O)CC(C)S(=O)C1CCCC1.
What is the InChIKey of ethyl 3-cyclopentylsulfinylbutanoate?
The InChIKey is PZNRFFSZKYGLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-3-14-11(12)8-9(2)15(13)10-6-4-5-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 3-cyclopentylsulfinylbutanoate?
ethyl 3-cyclopentylsulfinylbutanoate has a molecular weight of 232.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopentylsulfinylbutanoate is sourced from PubChem (CID 63115480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).