ethyl 2-naphthalen-2-ylsulfinylpentanoate

C17H20O3S — CID 83040226

IUPACethyl 2-naphthalen-2-ylsulfinylpentanoate
SMILESCCCC(C(=O)OCC)S(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20O3S/c1-3-7-16(17(18)20-4-2)21(19)15-11-10-13-8-5-6-9-14(13)12-15/h5-6,8-12,16H,3-4,7H2,1-2H3
InChIKeyAEDVEXDTNLPBNN-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.68
Rot. Bonds6

About ethyl 2-naphthalen-2-ylsulfinylpentanoate

ethyl 2-naphthalen-2-ylsulfinylpentanoate (PubChem CID 83040226) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is ethyl 2-naphthalen-2-ylsulfinylpentanoate.

Molecular Properties

Compound Nameethyl 2-naphthalen-2-ylsulfinylpentanoate
PubChem CID83040226
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Nameethyl 2-naphthalen-2-ylsulfinylpentanoate
SMILESCCCC(C(=O)OCC)S(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20O3S/c1-3-7-16(17(18)20-4-2)21(19)15-11-10-13-8-5-6-9-14(13)12-15/h5-6,8-12,16H,3-4,7H2,1-2H3
InChIKeyAEDVEXDTNLPBNN-UHFFFAOYSA-N
XLogP3.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-naphthalen-2-ylsulfinylpropanoate
CID 61302771
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
ethyl 2-benzylsulfinylpentanoate
CID 83049453
ethyl 2-hydroxy-2-naphthalen-2-ylsulfanylacetate
CID 71387535
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
diethyl 2-naphthalen-2-ylsulfonylpropanedioate
CID 134066731
ethyl 2-(4-fluorophenyl)sulfinylbutanoate
CID 64661886
ethyl (2S)-2-formyl-3-naphthalen-2-ylpropanoate
CID 125487016
ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate
CID 171240068
1-O-ethyl 3-O-(naphthalen-2-ylmethyl) 2-ethylpropanedioate
CID 174363846
2-naphthalen-2-yloxypentanehydrazide
CID 54792972
2-propylpentyl naphthalene-2-carboxylate
CID 146351385

Frequently Asked Questions

What is the IUPAC name of ethyl 2-naphthalen-2-ylsulfinylpentanoate?
The IUPAC name of ethyl 2-naphthalen-2-ylsulfinylpentanoate (CID 83040226) is ethyl 2-naphthalen-2-ylsulfinylpentanoate.
What is the SMILES notation for ethyl 2-naphthalen-2-ylsulfinylpentanoate?
The canonical SMILES for ethyl 2-naphthalen-2-ylsulfinylpentanoate is CCCC(C(=O)OCC)S(=O)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 2-naphthalen-2-ylsulfinylpentanoate?
The InChIKey is AEDVEXDTNLPBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3S/c1-3-7-16(17(18)20-4-2)21(19)15-11-10-13-8-5-6-9-14(13)12-15/h5-6,8-12,16H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-naphthalen-2-ylsulfinylpentanoate?
ethyl 2-naphthalen-2-ylsulfinylpentanoate has a molecular weight of 304.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-naphthalen-2-ylsulfinylpentanoate is sourced from PubChem (CID 83040226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).