1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide

C19H25N3O2S — CID 131644453

About 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide

1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide (PubChem CID 131644453) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide
• PubChem CID: 131644453
• Molecular Formula: C19H25N3O2S
• Molecular Weight: 359.50 g/mol
• Exact Mass: 359.17
• IUPAC Name: 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide
• SMILES: Cn1cccc1C(=O)NCCC1CCOC12CN(Cc1ccsc1)C2
• InChI: InChI=1S/C19H25N3O2S/c1-21-8-2-3-17(21)18(23)20-7-4-16-5-9-24-19(16)13-22(14-19)11-15-6-10-25-12-15/h2-3,6,8,10,12,16H,4-5,7,9,11,13-14H2,1H3,(H,20,23)
• InChIKey: ZMSPVWNNMJYQBQ-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.50
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide?

The IUPAC name of 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide (CID 131644453) is 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide.

What is the SMILES notation for 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide?

The canonical SMILES for 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide is Cn1cccc1C(=O)NCCC1CCOC12CN(Cc1ccsc1)C2.

What is the InChIKey of 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide?

The InChIKey is ZMSPVWNNMJYQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-21-8-2-3-17(21)18(23)20-7-4-16-5-9-24-19(16)13-22(14-19)11-15-6-10-25-12-15/h2-3,6,8,10,12,16H,4-5,7,9,11,13-14H2,1H3,(H,20,23).

What are the key properties of 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide?

1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 131644453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).