5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid

C14H18N2O6S — CID 138001404

IUPAC5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCOC3(CCOCC3)C2)cn1
InChIInChI=1S/C14H18N2O6S/c17-13(18)12-2-1-11(9-15-12)23(19,20)16-5-8-22-14(10-16)3-6-21-7-4-14/h1-2,9H,3-8,10H2,(H,17,18)
InChIKeyHQCUFVYQMMZGFD-UHFFFAOYSA-N
MW342.37 g/mol
LogP0.35
Rot. Bonds3

About 5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid

5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid (PubChem CID 138001404) has the molecular formula C14H18N2O6S and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid
PubChem CID138001404
Molecular FormulaC14H18N2O6S
Molecular Weight342.37 g/mol
Exact Mass342.09
IUPAC Name5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCOC3(CCOCC3)C2)cn1
InChIInChI=1S/C14H18N2O6S/c17-13(18)12-2-1-11(9-15-12)23(19,20)16-5-8-22-14(10-16)3-6-21-7-4-14/h1-2,9H,3-8,10H2,(H,17,18)
InChIKeyHQCUFVYQMMZGFD-UHFFFAOYSA-N
XLogP0.35
TPSA106.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-oxa-9-azaspiro[4.5]decan-9-ylsulfonyl)aniline
CID 86790752
1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 134077394
1-[(6R)-8-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 97449128
5-morpholin-4-ylsulfonylpyridine-2-thiolate
CID 7063956
5-sulfamoylpyridine-2-carboxylic acid
CID 57336589
1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-sulfanylethanone
CID 172876331
3-methyl-5-(5-oxa-8-azaspiro[3.5]nonan-8-ylsulfonyl)thiophene-2-carboxylic acid
CID 138003226
4-(4-nitrophenyl)sulfonyl-1-oxa-4-azaspiro[5.5]undecan-9-amine
CID 165494337
5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid
CID 130407792
1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 131947966
4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 169160863
(6S,10S)-4-(4-methylphenyl)sulfonyl-10-(2-methylpropyl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 134949531

Frequently Asked Questions

What is the IUPAC name of 5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid (CID 138001404) is 5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)N2CCOC3(CCOCC3)C2)cn1.
What is the InChIKey of 5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid?
The InChIKey is HQCUFVYQMMZGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S/c17-13(18)12-2-1-11(9-15-12)23(19,20)16-5-8-22-14(10-16)3-6-21-7-4-14/h1-2,9H,3-8,10H2,(H,17,18).
What are the key properties of 5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid?
5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid has a molecular weight of 342.37 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 138001404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).