5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid

C15H20N2O6S — CID 119184800

IUPAC5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CCCN2S(=O)(=O)c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C15H20N2O6S/c1-10-6-8-16(9-10)14(18)11-3-2-7-17(11)24(21,22)13-5-4-12(23-13)15(19)20/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,20)
InChIKeyWMXNDCLCXUOLKG-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.00
Rot. Bonds4

About 5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid

5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid (PubChem CID 119184800) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is 5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
PubChem CID119184800
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CCCN2S(=O)(=O)c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C15H20N2O6S/c1-10-6-8-16(9-10)14(18)11-3-2-7-17(11)24(21,22)13-5-4-12(23-13)15(19)20/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,20)
InChIKeyWMXNDCLCXUOLKG-UHFFFAOYSA-N
XLogP1.00
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid (CID 119184800) is 5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid is CC1CCN(C(=O)C2CCCN2S(=O)(=O)c2ccc(C(=O)O)o2)C1.
What is the InChIKey of 5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid?
The InChIKey is WMXNDCLCXUOLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-10-6-8-16(9-10)14(18)11-3-2-7-17(11)24(21,22)13-5-4-12(23-13)15(19)20/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,20).
What are the key properties of 5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid?
5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid has a molecular weight of 356.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 119184800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).