N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide

C20H27N3OS — CID 129477100

About N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide

N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 129477100) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
• PubChem CID: 129477100
• Molecular Formula: C20H27N3OS
• Molecular Weight: 357.52 g/mol
• Exact Mass: 357.19
• IUPAC Name: N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
• SMILES: CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(Cc1cccn1C)CC2
• InChI: InChI=1S/C20H27N3OS/c1-16(24)23(13-17-5-11-25-15-17)19-12-20(19)6-9-22(10-7-20)14-18-4-3-8-21(18)2/h3-5,8,11,15,19H,6-7,9-10,12-14H2,1-2H3/t19-/m1/s1
• InChIKey: YPHOAKIMDAZFTE-LJQANCHMSA-N
• XLogP: 3.49
• TPSA: 28.48 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.52
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?

The IUPAC name of N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide (CID 129477100) is N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide.

What is the SMILES notation for N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?

The canonical SMILES for N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide is CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(Cc1cccn1C)CC2.

What is the InChIKey of N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?

The InChIKey is YPHOAKIMDAZFTE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-16(24)23(13-17-5-11-25-15-17)19-12-20(19)6-9-22(10-7-20)14-18-4-3-8-21(18)2/h3-5,8,11,15,19H,6-7,9-10,12-14H2,1-2H3/t19-/m1/s1.

What are the key properties of N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?

N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 357.52 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 129477100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).