5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid

C10H13NO5S — CID 54882569

IUPAC5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid
SMILESCC1CCCN1S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H13NO5S/c1-7-3-2-6-11(7)17(14,15)9-5-4-8(16-9)10(12)13/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKeyAVNKBLQUYBWIDX-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.15
Rot. Bonds3

About 5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid

5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid (PubChem CID 54882569) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid
PubChem CID54882569
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid
SMILESCC1CCCN1S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H13NO5S/c1-7-3-2-6-11(7)17(14,15)9-5-4-8(16-9)10(12)13/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKeyAVNKBLQUYBWIDX-UHFFFAOYSA-N
XLogP1.15
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 106773973
5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119184800
5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 43149837
5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 60951906
5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 93086341
5-[2-(4-ethenylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 120550136
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 93025181
5-[4-(2,5-dimethylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 120552103
5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 62805389
5-[2-[methyl(pent-4-enyl)carbamoyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119185970
5-[2-(spiro[2.5]octan-2-ylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 120692317
5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]furan-2-carboxylic acid
CID 61041596

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid (CID 54882569) is 5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid is CC1CCCN1S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid?
The InChIKey is AVNKBLQUYBWIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-7-3-2-6-11(7)17(14,15)9-5-4-8(16-9)10(12)13/h4-5,7H,2-3,6H2,1H3,(H,12,13).
What are the key properties of 5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid?
5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid has a molecular weight of 259.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 54882569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).