ethyl 3-cyclopentylsulfonylpropanoate

C10H18O4S — CID 61236159

IUPACethyl 3-cyclopentylsulfonylpropanoate
SMILESCCOC(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C10H18O4S/c1-2-14-10(11)7-8-15(12,13)9-5-3-4-6-9/h9H,2-8H2,1H3
InChIKeyICAHPSPMWVITDX-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.30
Rot. Bonds5

About ethyl 3-cyclopentylsulfonylpropanoate

ethyl 3-cyclopentylsulfonylpropanoate (PubChem CID 61236159) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is ethyl 3-cyclopentylsulfonylpropanoate.

Molecular Properties

Compound Nameethyl 3-cyclopentylsulfonylpropanoate
PubChem CID61236159
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Nameethyl 3-cyclopentylsulfonylpropanoate
SMILESCCOC(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C10H18O4S/c1-2-14-10(11)7-8-15(12,13)9-5-3-4-6-9/h9H,2-8H2,1H3
InChIKeyICAHPSPMWVITDX-UHFFFAOYSA-N
XLogP1.30
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate
CID 134086046
prop-2-ynyl 3-cyclopentylsulfonylpropanoate
CID 60562931
tert-butyl 3-cyclohexylsulfonylpropanoate
CID 116662463
ethyl 2-cyclopropylsulfonylacetate
CID 56604727
ethyl 3-methylsulfonylpropanoate
CID 58565961
ethyl 3-cyclopentylsulfonylbutanoate
CID 63114568
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
CID 119520216
6-cyclopentylsulfonylhexan-3-one
CID 106808577
(3S,6R)-1-(3-cyclopentylsulfonylpropanoyl)-6-methylpiperidine-3-carboxamide
CID 95148877
2-cyclohexyl-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 61459208
ethyl 2-(3-methylcyclohexyl)sulfonylacetate
CID 62720621
2-[1-(3-ethoxy-3-oxopropyl)sulfonylpiperidin-2-yl]acetic acid
CID 61459168

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopentylsulfonylpropanoate?
The IUPAC name of ethyl 3-cyclopentylsulfonylpropanoate (CID 61236159) is ethyl 3-cyclopentylsulfonylpropanoate.
What is the SMILES notation for ethyl 3-cyclopentylsulfonylpropanoate?
The canonical SMILES for ethyl 3-cyclopentylsulfonylpropanoate is CCOC(=O)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of ethyl 3-cyclopentylsulfonylpropanoate?
The InChIKey is ICAHPSPMWVITDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-2-14-10(11)7-8-15(12,13)9-5-3-4-6-9/h9H,2-8H2,1H3.
What are the key properties of ethyl 3-cyclopentylsulfonylpropanoate?
ethyl 3-cyclopentylsulfonylpropanoate has a molecular weight of 234.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopentylsulfonylpropanoate is sourced from PubChem (CID 61236159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).