5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid

C9H12N2O5S2 — CID 113391928

IUPAC5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C9H12N2O5S2/c12-6-2-1-3-11(4-6)18(15,16)9-7(8(13)14)10-5-17-9/h5-6,12H,1-4H2,(H,13,14)
InChIKeyCQUFPEXDTFJGAM-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.01
Rot. Bonds3

About 5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid

5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid (PubChem CID 113391928) has the molecular formula C9H12N2O5S2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid
PubChem CID113391928
Molecular FormulaC9H12N2O5S2
Molecular Weight292.34 g/mol
Exact Mass292.02
IUPAC Name5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1S(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C9H12N2O5S2/c12-6-2-1-3-11(4-6)18(15,16)9-7(8(13)14)10-5-17-9/h5-6,12H,1-4H2,(H,13,14)
InChIKeyCQUFPEXDTFJGAM-UHFFFAOYSA-N
XLogP-0.01
TPSA107.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid (CID 113391928) is 5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1S(=O)(=O)N1CCCC(O)C1.
What is the InChIKey of 5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is CQUFPEXDTFJGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S2/c12-6-2-1-3-11(4-6)18(15,16)9-7(8(13)14)10-5-17-9/h5-6,12H,1-4H2,(H,13,14).
What are the key properties of 5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid?
5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 113391928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).