5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid

C11H15NO6S — CID 107215788

IUPAC5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid
SMILESCCCC1(O)CN(S(=O)(=O)c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C11H15NO6S/c1-2-5-11(15)6-12(7-11)19(16,17)9-4-3-8(18-9)10(13)14/h3-4,15H,2,5-7H2,1H3,(H,13,14)
InChIKeyQYJHMGRYFAKDTB-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.51
Rot. Bonds5

About 5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid

5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid (PubChem CID 107215788) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid
PubChem CID107215788
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid
SMILESCCCC1(O)CN(S(=O)(=O)c2ccc(C(=O)O)o2)C1
InChIInChI=1S/C11H15NO6S/c1-2-5-11(15)6-12(7-11)19(16,17)9-4-3-8(18-9)10(13)14/h3-4,15H,2,5-7H2,1H3,(H,13,14)
InChIKeyQYJHMGRYFAKDTB-UHFFFAOYSA-N
XLogP0.51
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid
CID 29077415
5-(4-hydroxy-4-methylazepan-1-yl)sulfonylfuran-2-carboxylic acid
CID 107404061
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 93025181
5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 114776516
5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 43149837
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-bromo-4-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 107215678
5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 93086341
1-(2-phenylethenylsulfonyl)-3-propylazetidin-3-ol
CID 77104015
5-[4-(2,5-dimethylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 120552103
5-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)sulfonylfuran-2-carboxylic acid
CID 66074935
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol
CID 103100234

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid (CID 107215788) is 5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid is CCCC1(O)CN(S(=O)(=O)c2ccc(C(=O)O)o2)C1.
What is the InChIKey of 5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid?
The InChIKey is QYJHMGRYFAKDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S/c1-2-5-11(15)6-12(7-11)19(16,17)9-4-3-8(18-9)10(13)14/h3-4,15H,2,5-7H2,1H3,(H,13,14).
What are the key properties of 5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid?
5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 107215788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).