ethyl 3-naphthalen-2-ylsulfinylpropanoate

C15H16O3S — CID 61302771

IUPACethyl 3-naphthalen-2-ylsulfinylpropanoate
SMILESCCOC(=O)CCS(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H16O3S/c1-2-18-15(16)9-10-19(17)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,2,9-10H2,1H3
InChIKeyAZINHXCCNRISPH-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.90
Rot. Bonds5

About ethyl 3-naphthalen-2-ylsulfinylpropanoate

ethyl 3-naphthalen-2-ylsulfinylpropanoate (PubChem CID 61302771) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 3-naphthalen-2-ylsulfinylpropanoate.

Molecular Properties

Compound Nameethyl 3-naphthalen-2-ylsulfinylpropanoate
PubChem CID61302771
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Nameethyl 3-naphthalen-2-ylsulfinylpropanoate
SMILESCCOC(=O)CCS(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H16O3S/c1-2-18-15(16)9-10-19(17)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,2,9-10H2,1H3
InChIKeyAZINHXCCNRISPH-UHFFFAOYSA-N
XLogP2.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(3-chlorophenyl)sulfinylpropanoate
CID 62645969
ethyl 2-naphthalen-2-ylsulfinylpentanoate
CID 83040226
ethyl 3-anthracen-2-ylsulfanylpropanoate
CID 11659590
butyl 3-[4-(2-phenylethynyl)phenyl]sulfinylpropanoate
CID 70283107
ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate
CID 10829517
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
ethyl (E)-8-naphthalen-2-yl-4-oxooct-7-enoate
CID 73056724
ethyl 5-oxo-5-phenylsulfanylpentanoate
CID 15064894
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate
CID 78901900
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
anthracene;ethyl carbamate
CID 174381530

Frequently Asked Questions

What is the IUPAC name of ethyl 3-naphthalen-2-ylsulfinylpropanoate?
The IUPAC name of ethyl 3-naphthalen-2-ylsulfinylpropanoate (CID 61302771) is ethyl 3-naphthalen-2-ylsulfinylpropanoate.
What is the SMILES notation for ethyl 3-naphthalen-2-ylsulfinylpropanoate?
The canonical SMILES for ethyl 3-naphthalen-2-ylsulfinylpropanoate is CCOC(=O)CCS(=O)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 3-naphthalen-2-ylsulfinylpropanoate?
The InChIKey is AZINHXCCNRISPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-2-18-15(16)9-10-19(17)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,2,9-10H2,1H3.
What are the key properties of ethyl 3-naphthalen-2-ylsulfinylpropanoate?
ethyl 3-naphthalen-2-ylsulfinylpropanoate has a molecular weight of 276.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-naphthalen-2-ylsulfinylpropanoate is sourced from PubChem (CID 61302771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).