5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid

C10H13NO6S — CID 106773973

IUPAC5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
SMILESC[C@@H]1COCCN1S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H13NO6S/c1-7-6-16-5-4-11(7)18(14,15)9-3-2-8(17-9)10(12)13/h2-3,7H,4-6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyAQWCLZKAGHZKSP-SSDOTTSWSA-N
MW275.28 g/mol
LogP0.39
Rot. Bonds3

About 5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid

5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid (PubChem CID 106773973) has the molecular formula C10H13NO6S and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
PubChem CID106773973
Molecular FormulaC10H13NO6S
Molecular Weight275.28 g/mol
Exact Mass275.05
IUPAC Name5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
SMILESC[C@@H]1COCCN1S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H13NO6S/c1-7-6-16-5-4-11(7)18(14,15)9-3-2-8(17-9)10(12)13/h2-3,7H,4-6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyAQWCLZKAGHZKSP-SSDOTTSWSA-N
XLogP0.39
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 54882569
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
2,6-dichloro-3-(3-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 43429187
4-amino-2-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 106773819
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 93025181
2,5-dimethyl-4-(3-methylmorpholin-4-yl)sulfonylfuran-3-carboxylic acid
CID 43542014
5-[4-(2,5-dimethylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 120552103
5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119184800
5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 93350476
4-bromo-3-(3-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 43429186
(E)-3-[4-[(3R)-3-methylmorpholin-4-yl]sulfonylphenyl]prop-2-enoic acid
CID 106773963

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid (CID 106773973) is 5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid is C[C@@H]1COCCN1S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid?
The InChIKey is AQWCLZKAGHZKSP-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13NO6S/c1-7-6-16-5-4-11(7)18(14,15)9-3-2-8(17-9)10(12)13/h2-3,7H,4-6H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of 5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid?
5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 106773973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).