4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid

C18H19NO4S — CID 166270228

IUPAC4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cccc3ccccc23)C2(CC2)C1
InChIInChI=1S/C18H19NO4S/c20-17(21)14-8-11-19(18(12-14)9-10-18)24(22,23)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,14H,8-12H2,(H,20,21)
InChIKeyZKGLLEMMTITTFA-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.86
Rot. Bonds3

About 4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid

4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid (PubChem CID 166270228) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid.

Molecular Properties

Compound Name4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid
PubChem CID166270228
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cccc3ccccc23)C2(CC2)C1
InChIInChI=1S/C18H19NO4S/c20-17(21)14-8-11-19(18(12-14)9-10-18)24(22,23)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,14H,8-12H2,(H,20,21)
InChIKeyZKGLLEMMTITTFA-UHFFFAOYSA-N
XLogP2.86
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 114533548
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CID 7272536
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CID 90589478
N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide
CID 51071217
cyclohexyl-(8-naphthalen-1-ylsulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl)methanone
CID 4021529
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(2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid
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CID 84751503

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid?
The IUPAC name of 4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid (CID 166270228) is 4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid.
What is the SMILES notation for 4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid?
The canonical SMILES for 4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)c2cccc3ccccc23)C2(CC2)C1.
What is the InChIKey of 4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid?
The InChIKey is ZKGLLEMMTITTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c20-17(21)14-8-11-19(18(12-14)9-10-18)24(22,23)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,14H,8-12H2,(H,20,21).
What are the key properties of 4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid?
4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid has a molecular weight of 345.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-ylsulfonyl-4-azaspiro[2.5]octane-7-carboxylic acid is sourced from PubChem (CID 166270228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).