ethyl 3-cyclopentylsulfonylbutanoate

C11H20O4S — CID 63114568

IUPACethyl 3-cyclopentylsulfonylbutanoate
SMILESCCOC(=O)CC(C)S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H20O4S/c1-3-15-11(12)8-9(2)16(13,14)10-6-4-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeySVHHRBRHJVANLH-UHFFFAOYSA-N
MW248.34 g/mol
LogP1.69
Rot. Bonds5

About ethyl 3-cyclopentylsulfonylbutanoate

ethyl 3-cyclopentylsulfonylbutanoate (PubChem CID 63114568) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is ethyl 3-cyclopentylsulfonylbutanoate.

Molecular Properties

Compound Nameethyl 3-cyclopentylsulfonylbutanoate
PubChem CID63114568
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Nameethyl 3-cyclopentylsulfonylbutanoate
SMILESCCOC(=O)CC(C)S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H20O4S/c1-3-15-11(12)8-9(2)16(13,14)10-6-4-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeySVHHRBRHJVANLH-UHFFFAOYSA-N
XLogP1.69
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclohexylsulfonylbutanoate
CID 64660670
ethyl 3-cyclopentylsulfonylpropanoate
CID 61236159
ethyl (3R)-3-chlorosulfonylbutanoate
CID 124537429
methyl 3-(3-methoxycyclohexyl)sulfonylbutanoate
CID 66115337
3-cyclohexylsulfonylbutan-1-amine
CID 64698665
ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
CID 81391748
ethyl 3-cyclopropylbutanoate
CID 47078610
ethyl 3-cyclopentylsulfinylbutanoate
CID 63115480
diethyl 2-cyclohexyloxybutanedioate
CID 139989318
ethyl 2-cyclopropylsulfonylacetate
CID 56604727
2-cyclopentylsulfonyl-N-methylpropan-1-amine
CID 106512846
ethyl 3-(cyclohexylmethoxy)butanoate
CID 115003091

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopentylsulfonylbutanoate?
The IUPAC name of ethyl 3-cyclopentylsulfonylbutanoate (CID 63114568) is ethyl 3-cyclopentylsulfonylbutanoate.
What is the SMILES notation for ethyl 3-cyclopentylsulfonylbutanoate?
The canonical SMILES for ethyl 3-cyclopentylsulfonylbutanoate is CCOC(=O)CC(C)S(=O)(=O)C1CCCC1.
What is the InChIKey of ethyl 3-cyclopentylsulfonylbutanoate?
The InChIKey is SVHHRBRHJVANLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S/c1-3-15-11(12)8-9(2)16(13,14)10-6-4-5-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 3-cyclopentylsulfonylbutanoate?
ethyl 3-cyclopentylsulfonylbutanoate has a molecular weight of 248.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopentylsulfonylbutanoate is sourced from PubChem (CID 63114568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).