5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid

C10H13NO6S — CID 93086341

IUPAC5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCC[C@H](O)C2)o1
InChIInChI=1S/C10H13NO6S/c12-7-2-1-5-11(6-7)18(15,16)9-4-3-8(17-9)10(13)14/h3-4,7,12H,1-2,5-6H2,(H,13,14)/t7-/m0/s1
InChIKeyCNZSKRDHVJAVMH-ZETCQYMHSA-N
MW275.28 g/mol
LogP0.12
Rot. Bonds3

About 5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid

5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid (PubChem CID 93086341) has the molecular formula C10H13NO6S and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid
PubChem CID93086341
Molecular FormulaC10H13NO6S
Molecular Weight275.28 g/mol
Exact Mass275.05
IUPAC Name5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCC[C@H](O)C2)o1
InChIInChI=1S/C10H13NO6S/c12-7-2-1-5-11(6-7)18(15,16)9-4-3-8(17-9)10(13)14/h3-4,7,12H,1-2,5-6H2,(H,13,14)/t7-/m0/s1
InChIKeyCNZSKRDHVJAVMH-ZETCQYMHSA-N
XLogP0.12
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 43149837
4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid
CID 62804142
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 93025181
5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 54882569
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-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119184796
2-chloro-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzoic acid
CID 107216439
5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 60951906
5-[2-(3-methylpyrrolidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119184800
5-[4-(2,5-dimethylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 120552103
(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
CID 71654100

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid (CID 93086341) is 5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)N2CCC[C@H](O)C2)o1.
What is the InChIKey of 5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid?
The InChIKey is CNZSKRDHVJAVMH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13NO6S/c12-7-2-1-5-11(6-7)18(15,16)9-4-3-8(17-9)10(13)14/h3-4,7,12H,1-2,5-6H2,(H,13,14)/t7-/m0/s1.
What are the key properties of 5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid?
5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 93086341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).