6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid

C16H23NO5S — CID 167938650

IUPAC6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2CC(C(=O)O)CCC23CCCC3)c(C)o1
InChIInChI=1S/C16H23NO5S/c1-11-9-14(12(2)22-11)23(20,21)17-10-13(15(18)19)5-8-16(17)6-3-4-7-16/h9,13H,3-8,10H2,1-2H3,(H,18,19)
InChIKeyBJRRFKQBIOUTCJ-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.69
Rot. Bonds3

About 6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid

6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 167938650) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID167938650
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Name6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2CC(C(=O)O)CCC23CCCC3)c(C)o1
InChIInChI=1S/C16H23NO5S/c1-11-9-14(12(2)22-11)23(20,21)17-10-13(15(18)19)5-8-16(17)6-3-4-7-16/h9,13H,3-8,10H2,1-2H3,(H,18,19)
InChIKeyBJRRFKQBIOUTCJ-UHFFFAOYSA-N
XLogP2.69
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid
CID 166306291
(5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane
CID 124628765
1-(2,5-dimethylfuran-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 166288038
(3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid
CID 125132918
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 102554077
(2R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 99635051
2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide
CID 146075410
1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083917
3-amino-N-[[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584439
5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 62805389
4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119239175
3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256576

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid (CID 167938650) is 6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid is Cc1cc(S(=O)(=O)N2CC(C(=O)O)CCC23CCCC3)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is BJRRFKQBIOUTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-11-9-14(12(2)22-11)23(20,21)17-10-13(15(18)19)5-8-16(17)6-3-4-7-16/h9,13H,3-8,10H2,1-2H3,(H,18,19).
What are the key properties of 6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid?
6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 341.43 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 167938650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).