5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid

C11H15NO6S — CID 93025181

IUPAC5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)O)o2)C[C@H](C)O1
InChIInChI=1S/C11H15NO6S/c1-7-5-12(6-8(2)17-7)19(15,16)10-4-3-9(18-10)11(13)14/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)/t7-,8+
InChIKeyFCDRHTSHBKOAKM-OCAPTIKFSA-N
MW289.31 g/mol
LogP0.78
Rot. Bonds3

About 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid

5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid (PubChem CID 93025181) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
PubChem CID93025181
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)O)o2)C[C@H](C)O1
InChIInChI=1S/C11H15NO6S/c1-7-5-12(6-8(2)17-7)19(15,16)10-4-3-9(18-10)11(13)14/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)/t7-,8+
InChIKeyFCDRHTSHBKOAKM-OCAPTIKFSA-N
XLogP0.78
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 43149837
5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid
CID 29077415
5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119184796
5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
CID 62804157
5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 79993346
5-[4-(2,5-dimethylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 120552103
5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 54882569
5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 106773973
(2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
CID 47913591
5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 114776516
5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 107215788
5-(4-hydroxy-4-methylazepan-1-yl)sulfonylfuran-2-carboxylic acid
CID 107404061

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid (CID 93025181) is 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid is C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)O)o2)C[C@H](C)O1.
What is the InChIKey of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid?
The InChIKey is FCDRHTSHBKOAKM-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H15NO6S/c1-7-5-12(6-8(2)17-7)19(15,16)10-4-3-9(18-10)11(13)14/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)/t7-,8+.
What are the key properties of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid?
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 93025181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).