5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide

C13H15N3O4S — CID 62094462

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C13H15N3O4S/c17-6-2-3-10-7-11(9-14-8-10)21(19,20)16-12-4-1-5-15-13(12)18/h7-9,12,16-17H,1,4-6H2,(H,15,18)
InChIKeyYNULEXYECLYJOA-UHFFFAOYSA-N
MW309.35 g/mol
LogP-1.02
Rot. Bonds3

About 5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide

5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide (PubChem CID 62094462) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide
PubChem CID62094462
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C13H15N3O4S/c17-6-2-3-10-7-11(9-14-8-10)21(19,20)16-12-4-1-5-15-13(12)18/h7-9,12,16-17H,1,4-6H2,(H,15,18)
InChIKeyYNULEXYECLYJOA-UHFFFAOYSA-N
XLogP-1.02
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide (CID 62094462) is 5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide is O=C1NCCCC1NS(=O)(=O)c1cncc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide?
The InChIKey is YNULEXYECLYJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c17-6-2-3-10-7-11(9-14-8-10)21(19,20)16-12-4-1-5-15-13(12)18/h7-9,12,16-17H,1,4-6H2,(H,15,18).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide?
5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide has a molecular weight of 309.35 g/mol, XLogP of -1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 62094462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).