2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide

C11H15N3O4S — CID 55118102

IUPAC2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESNc1ccc(=O)n(CC(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C11H15N3O4S/c12-8-1-2-11(16)14(5-8)6-10(15)13-9-3-4-19(17,18)7-9/h1-2,5,9H,3-4,6-7,12H2,(H,13,15)
InChIKeyPRIWTWALPSZKJH-UHFFFAOYSA-N
MW285.32 g/mol
LogP-1.27
Rot. Bonds3

About 2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide

2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 55118102) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID55118102
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESNc1ccc(=O)n(CC(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C11H15N3O4S/c12-8-1-2-11(16)14(5-8)6-10(15)13-9-3-4-19(17,18)7-9/h1-2,5,9H,3-4,6-7,12H2,(H,13,15)
InChIKeyPRIWTWALPSZKJH-UHFFFAOYSA-N
XLogP-1.27
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 55118102) is 2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide is Nc1ccc(=O)n(CC(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is PRIWTWALPSZKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c12-8-1-2-11(16)14(5-8)6-10(15)13-9-3-4-19(17,18)7-9/h1-2,5,9H,3-4,6-7,12H2,(H,13,15).
What are the key properties of 2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 285.32 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-1-pyridinyl)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 55118102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).