8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C17H25N3O2S — CID 131677509

About 8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 131677509) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

• Compound Name: 8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
• PubChem CID: 131677509
• Molecular Formula: C17H25N3O2S
• Molecular Weight: 335.47 g/mol
• Exact Mass: 335.17
• IUPAC Name: 8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
• SMILES: CNC(=O)C1COC2(CN(Cc3ccsc3)C2)CN1CC1CC1
• InChI: InChI=1S/C17H25N3O2S/c1-18-16(21)15-8-22-17(12-20(15)7-13-2-3-13)10-19(11-17)6-14-4-5-23-9-14/h4-5,9,13,15H,2-3,6-8,10-12H2,1H3,(H,18,21)
• InChIKey: DAPJTLQTEXHCID-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.47
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?

The IUPAC name of 8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 131677509) is 8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

What is the SMILES notation for 8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?

The canonical SMILES for 8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is CNC(=O)C1COC2(CN(Cc3ccsc3)C2)CN1CC1CC1.

What is the InChIKey of 8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?

The InChIKey is DAPJTLQTEXHCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-18-16(21)15-8-22-17(12-20(15)7-13-2-3-13)10-19(11-17)6-14-4-5-23-9-14/h4-5,9,13,15H,2-3,6-8,10-12H2,1H3,(H,18,21).

What are the key properties of 8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?

8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 131677509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).