spiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid

C14H17NO2S — CID 80500014

IUPACspiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid
SMILESO=C(O)C1CCSC2(CCc3ccccc3C2)N1
InChIInChI=1S/C14H17NO2S/c16-13(17)12-6-8-18-14(15-12)7-5-10-3-1-2-4-11(10)9-14/h1-4,12,15H,5-9H2,(H,16,17)
InChIKeySVYNQFRLIVMWQV-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.05
Rot. Bonds1

About spiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid

spiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid (PubChem CID 80500014) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is spiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid.

Molecular Properties

Compound Namespiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid
PubChem CID80500014
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Namespiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid
SMILESO=C(O)C1CCSC2(CCc3ccccc3C2)N1
InChIInChI=1S/C14H17NO2S/c16-13(17)12-6-8-18-14(15-12)7-5-10-3-1-2-4-11(10)9-14/h1-4,12,15H,5-9H2,(H,16,17)
InChIKeySVYNQFRLIVMWQV-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid?
The IUPAC name of spiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid (CID 80500014) is spiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid.
What is the SMILES notation for spiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid?
The canonical SMILES for spiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid is O=C(O)C1CCSC2(CCc3ccccc3C2)N1.
What is the InChIKey of spiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid?
The InChIKey is SVYNQFRLIVMWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c16-13(17)12-6-8-18-14(15-12)7-5-10-3-1-2-4-11(10)9-14/h1-4,12,15H,5-9H2,(H,16,17).
What are the key properties of spiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid?
spiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid has a molecular weight of 263.36 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-thiazinane-2,3'-2,4-dihydro-1H-naphthalene]-4-carboxylic acid is sourced from PubChem (CID 80500014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).