2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide

C11H15N3OS — CID 107339832

IUPAC2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide
SMILESNc1ccc(CC(=O)NC2CCSC2)nc1
InChIInChI=1S/C11H15N3OS/c12-8-1-2-9(13-6-8)5-11(15)14-10-3-4-16-7-10/h1-2,6,10H,3-5,7,12H2,(H,14,15)
InChIKeyYNJHHABISNOHRV-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.83
Rot. Bonds3

About 2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide

2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide (PubChem CID 107339832) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide
PubChem CID107339832
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide
SMILESNc1ccc(CC(=O)NC2CCSC2)nc1
InChIInChI=1S/C11H15N3OS/c12-8-1-2-9(13-6-8)5-11(15)14-10-3-4-16-7-10/h1-2,6,10H,3-5,7,12H2,(H,14,15)
InChIKeyYNJHHABISNOHRV-UHFFFAOYSA-N
XLogP0.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide (CID 107339832) is 2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide is Nc1ccc(CC(=O)NC2CCSC2)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide?
The InChIKey is YNJHHABISNOHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c12-8-1-2-9(13-6-8)5-11(15)14-10-3-4-16-7-10/h1-2,6,10H,3-5,7,12H2,(H,14,15).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide?
2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide has a molecular weight of 237.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 107339832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).