5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide

C13H14N4O3S — CID 65481170

IUPAC5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cncc(C#CCN)c2)c1C
InChIInChI=1S/C13H14N4O3S/c1-9-10(2)16-20-13(9)17-21(18,19)12-6-11(4-3-5-14)7-15-8-12/h6-8,17H,5,14H2,1-2H3
InChIKeyUTMZSAXKCQNHEX-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.80
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide

5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide (PubChem CID 65481170) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide
PubChem CID65481170
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cncc(C#CCN)c2)c1C
InChIInChI=1S/C13H14N4O3S/c1-9-10(2)16-20-13(9)17-21(18,19)12-6-11(4-3-5-14)7-15-8-12/h6-8,17H,5,14H2,1-2H3
InChIKeyUTMZSAXKCQNHEX-UHFFFAOYSA-N
XLogP0.80
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide (CID 65481170) is 5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide is Cc1noc(NS(=O)(=O)c2cncc(C#CCN)c2)c1C.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide?
The InChIKey is UTMZSAXKCQNHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-9-10(2)16-20-13(9)17-21(18,19)12-6-11(4-3-5-14)7-15-8-12/h6-8,17H,5,14H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide?
5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide has a molecular weight of 306.35 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 65481170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).