(5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

C19H23N3OS — CID 97490108

About (5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

(5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97490108) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is (5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: (5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
• PubChem CID: 97490108
• Molecular Formula: C19H23N3OS
• Molecular Weight: 341.48 g/mol
• Exact Mass: 341.16
• IUPAC Name: (5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
• SMILES: O=C1N(Cc2cccnc2)CC[C@]12CCCN(Cc1ccsc1)C2
• InChI: InChI=1S/C19H23N3OS/c23-18-19(6-9-22(18)13-16-3-1-7-20-11-16)5-2-8-21(15-19)12-17-4-10-24-14-17/h1,3-4,7,10-11,14H,2,5-6,8-9,12-13,15H2/t19-/m0/s1
• InChIKey: ASEREPJIONKQMT-IBGZPJMESA-N
• XLogP: 3.16
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.48
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?

The IUPAC name of (5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (CID 97490108) is (5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.

What is the SMILES notation for (5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?

The canonical SMILES for (5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(Cc2cccnc2)CC[C@]12CCCN(Cc1ccsc1)C2.

What is the InChIKey of (5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?

The InChIKey is ASEREPJIONKQMT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N3OS/c23-18-19(6-9-22(18)13-16-3-1-7-20-11-16)5-2-8-21(15-19)12-17-4-10-24-14-17/h1,3-4,7,10-11,14H,2,5-6,8-9,12-13,15H2/t19-/m0/s1.

What are the key properties of (5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?

(5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 341.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97490108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).