(4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid

C13H15NO2S — CID 107773945

IUPAC(4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC2(CCCc3ccccc32)N1
InChIInChI=1S/C13H15NO2S/c15-12(16)11-8-17-13(14-11)7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6,11,14H,3,5,7-8H2,(H,15,16)/t11-,13?/m1/s1
InChIKeyAJUKQWVGXCUWCY-JTDNENJMSA-N
MW249.33 g/mol
LogP1.97
Rot. Bonds1

About (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid

(4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid (PubChem CID 107773945) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid
PubChem CID107773945
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name(4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC2(CCCc3ccccc32)N1
InChIInChI=1S/C13H15NO2S/c15-12(16)11-8-17-13(14-11)7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6,11,14H,3,5,7-8H2,(H,15,16)/t11-,13?/m1/s1
InChIKeyAJUKQWVGXCUWCY-JTDNENJMSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid?
The IUPAC name of (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid (CID 107773945) is (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid.
What is the SMILES notation for (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid?
The canonical SMILES for (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid is O=C(O)[C@H]1CSC2(CCCc3ccccc32)N1.
What is the InChIKey of (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid?
The InChIKey is AJUKQWVGXCUWCY-JTDNENJMSA-N. The full InChI is InChI=1S/C13H15NO2S/c15-12(16)11-8-17-13(14-11)7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6,11,14H,3,5,7-8H2,(H,15,16)/t11-,13?/m1/s1.
What are the key properties of (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid?
(4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid has a molecular weight of 249.33 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid is sourced from PubChem (CID 107773945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).