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

C19H25N3O2S — CID 124818462

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

1-methyl-N-[2-[(8R)-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide (PubChem CID 124818462) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-methyl-N-[2-[(8R)-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[2-[(8R)-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide
• PubChem CID: 124818462
• Molecular Formula: C19H25N3O2S
• Molecular Weight: 359.50 g/mol
• Exact Mass: 359.17
• IUPAC Name: 1-methyl-N-[2-[(8R)-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide
• SMILES: Cn1cccc1C(=O)NCC[C@@H]1CCOC12CN(Cc1cccs1)C2
• InChI: InChI=1S/C19H25N3O2S/c1-21-9-2-5-17(21)18(23)20-8-6-15-7-10-24-19(15)13-22(14-19)12-16-4-3-11-25-16/h2-5,9,11,15H,6-8,10,12-14H2,1H3,(H,20,23)/t15-/m1/s1
• InChIKey: NRYJEZBKFSQIBX-OAHLLOKOSA-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-[(8R)-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide?

The IUPAC name of 1-methyl-N-[2-[(8R)-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide (CID 124818462) is 1-methyl-N-[2-[(8R)-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide.

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

The canonical SMILES for 1-methyl-N-[2-[(8R)-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide is Cn1cccc1C(=O)NCC[C@@H]1CCOC12CN(Cc1cccs1)C2.

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

The InChIKey is NRYJEZBKFSQIBX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-21-9-2-5-17(21)18(23)20-8-6-15-7-10-24-19(15)13-22(14-19)12-16-4-3-11-25-16/h2-5,9,11,15H,6-8,10,12-14H2,1H3,(H,20,23)/t15-/m1/s1.

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

1-methyl-N-[2-[(8R)-2-(thiophen-2-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-[(8R)-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 124818462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).