4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one

C22H23N3O2S2 — CID 131669889

About 4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one

4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one (PubChem CID 131669889) has the molecular formula C22H23N3O2S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

• Compound Name: 4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
• PubChem CID: 131669889
• Molecular Formula: C22H23N3O2S2
• Molecular Weight: 425.58 g/mol
• Exact Mass: 425.12
• IUPAC Name: 4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
• SMILES: O=C1N(Cc2ccsc2)CCOC12CN(Cc1ccsc1)CC2c1cccnc1
• InChI: InChI=1S/C22H23N3O2S2/c26-21-22(27-7-6-25(21)12-18-4-9-29-15-18)16-24(11-17-3-8-28-14-17)13-20(22)19-2-1-5-23-10-19/h1-5,8-10,14-15,20H,6-7,11-13,16H2
• InChIKey: HAZXZJMYRAXVRQ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 45.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.58
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?

The IUPAC name of 4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one (CID 131669889) is 4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one.

What is the SMILES notation for 4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?

The canonical SMILES for 4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one is O=C1N(Cc2ccsc2)CCOC12CN(Cc1ccsc1)CC2c1cccnc1.

What is the InChIKey of 4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?

The InChIKey is HAZXZJMYRAXVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S2/c26-21-22(27-7-6-25(21)12-18-4-9-29-15-18)16-24(11-17-3-8-28-14-17)13-20(22)19-2-1-5-23-10-19/h1-5,8-10,14-15,20H,6-7,11-13,16H2.

What are the key properties of 4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?

4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one has a molecular weight of 425.58 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 131669889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).