5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid

C16H22N2O6S — CID 119184796

IUPAC5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)O)o3)CC2)C1
InChIInChI=1S/C16H22N2O6S/c1-11-4-7-17(10-11)15(19)12-5-8-18(9-6-12)25(22,23)14-3-2-13(24-14)16(20)21/h2-3,11-12H,4-10H2,1H3,(H,20,21)
InChIKeyISLFGSJFYISOIZ-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.25
Rot. Bonds4

About 5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid

5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid (PubChem CID 119184796) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is 5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
PubChem CID119184796
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Name5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)O)o3)CC2)C1
InChIInChI=1S/C16H22N2O6S/c1-11-4-7-17(10-11)15(19)12-5-8-18(9-6-12)25(22,23)14-3-2-13(24-14)16(20)21/h2-3,11-12H,4-10H2,1H3,(H,20,21)
InChIKeyISLFGSJFYISOIZ-UHFFFAOYSA-N
XLogP1.25
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2,5-dimethylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 120552103
(4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
CID 55950973
5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119182628
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-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 93025181
5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid
CID 29077415
5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 93086341
methyl 5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 91949848
5-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119179323
5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 54882569
(4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 55873374

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid (CID 119184796) is 5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid is CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)O)o3)CC2)C1.
What is the InChIKey of 5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid?
The InChIKey is ISLFGSJFYISOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-11-4-7-17(10-11)15(19)12-5-8-18(9-6-12)25(22,23)14-3-2-13(24-14)16(20)21/h2-3,11-12H,4-10H2,1H3,(H,20,21).
What are the key properties of 5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid?
5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 119184796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).