4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid

C11H15NO6S — CID 62804142

IUPAC4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C11H15NO6S/c1-7-10(5-9(18-7)11(14)15)19(16,17)12-4-2-3-8(13)6-12/h5,8,13H,2-4,6H2,1H3,(H,14,15)
InChIKeyAYFAUTPVBWULRV-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.43
Rot. Bonds3

About 4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid

4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid (PubChem CID 62804142) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid
PubChem CID62804142
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C11H15NO6S/c1-7-10(5-9(18-7)11(14)15)19(16,17)12-4-2-3-8(13)6-12/h5,8,13H,2-4,6H2,1H3,(H,14,15)
InChIKeyAYFAUTPVBWULRV-UHFFFAOYSA-N
XLogP0.43
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-carboxylic acid
CID 106586193
5-methyl-4-(1,4-thiazepan-4-ylsulfonyl)furan-2-carboxylic acid
CID 62805219
5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 93086341
5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid
CID 62803789
3-(3-hydroxypiperidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 63743648
5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 62805389
(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084328
[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119488674
(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55761088
2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
CID 119194844
3-amino-4-(3-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 81470671
(3S)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213869

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid (CID 62804142) is 4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)N1CCCC(O)C1.
What is the InChIKey of 4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid?
The InChIKey is AYFAUTPVBWULRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S/c1-7-10(5-9(18-7)11(14)15)19(16,17)12-4-2-3-8(13)6-12/h5,8,13H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid?
4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62804142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).