(5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone

C19H24N2O3S — CID 131658138

About (5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone

(5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone (PubChem CID 131658138) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone.

Molecular Properties

• Compound Name: (5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
• PubChem CID: 131658138
• Molecular Formula: C19H24N2O3S
• Molecular Weight: 360.48 g/mol
• Exact Mass: 360.15
• IUPAC Name: (5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
• SMILES: Cc1ccc(C(=O)N2CCOCC3(CCN(Cc4cccs4)C3)C2)o1
• InChI: InChI=1S/C19H24N2O3S/c1-15-4-5-17(24-15)18(22)21-8-9-23-14-19(13-21)6-7-20(12-19)11-16-3-2-10-25-16/h2-5,10H,6-9,11-14H2,1H3
• InChIKey: WBXDWWYOPBSOCQ-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 45.92 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.48
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?

The IUPAC name of (5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone (CID 131658138) is (5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone.

What is the SMILES notation for (5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?

The canonical SMILES for (5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone is Cc1ccc(C(=O)N2CCOCC3(CCN(Cc4cccs4)C3)C2)o1.

What is the InChIKey of (5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?

The InChIKey is WBXDWWYOPBSOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-4-5-17(24-15)18(22)21-8-9-23-14-19(13-21)6-7-20(12-19)11-16-3-2-10-25-16/h2-5,10H,6-9,11-14H2,1H3.

What are the key properties of (5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?

(5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone has a molecular weight of 360.48 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone is sourced from PubChem (CID 131658138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).