N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide

C20H23N3O3S — CID 129474223

About N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide

N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 129474223) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
• PubChem CID: 129474223
• Molecular Formula: C20H23N3O3S
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.15
• IUPAC Name: N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
• SMILES: CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)c1ccc(=O)[nH]c1)CC2
• InChI: InChI=1S/C20H23N3O3S/c1-14(24)23(12-15-4-9-27-13-15)17-10-20(17)5-7-22(8-6-20)19(26)16-2-3-18(25)21-11-16/h2-4,9,11,13,17H,5-8,10,12H2,1H3,(H,21,25)/t17-/m0/s1
• InChIKey: CSIZZOFBOCDJKL-KRWDZBQOSA-N
• XLogP: 2.48
• TPSA: 73.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?

The IUPAC name of N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide (CID 129474223) is N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide.

What is the SMILES notation for N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?

The canonical SMILES for N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide is CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)c1ccc(=O)[nH]c1)CC2.

What is the InChIKey of N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?

The InChIKey is CSIZZOFBOCDJKL-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-14(24)23(12-15-4-9-27-13-15)17-10-20(17)5-7-22(8-6-20)19(26)16-2-3-18(25)21-11-16/h2-4,9,11,13,17H,5-8,10,12H2,1H3,(H,21,25)/t17-/m0/s1.

What are the key properties of N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?

N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 385.49 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 129474223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).