(4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane

C21H29N3OS — CID 124796710

About (4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane

(4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 124796710) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is (4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

• Compound Name: (4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
• PubChem CID: 124796710
• Molecular Formula: C21H29N3OS
• Molecular Weight: 371.55 g/mol
• Exact Mass: 371.20
• IUPAC Name: (4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
• SMILES: COC[C@@H]1CN(Cc2ccsc2)CC12CCN(Cc1cccnc1)CC2
• InChI: InChI=1S/C21H29N3OS/c1-25-15-20-14-24(13-19-4-10-26-16-19)17-21(20)5-8-23(9-6-21)12-18-3-2-7-22-11-18/h2-4,7,10-11,16,20H,5-6,8-9,12-15,17H2,1H3/t20-/m0/s1
• InChIKey: TUIRYEXYLFVJOK-FQEVSTJZSA-N
• XLogP: 3.50
• TPSA: 28.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.55
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane?

The IUPAC name of (4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane (CID 124796710) is (4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane.

What is the SMILES notation for (4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane?

The canonical SMILES for (4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane is COC[C@@H]1CN(Cc2ccsc2)CC12CCN(Cc1cccnc1)CC2.

What is the InChIKey of (4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane?

The InChIKey is TUIRYEXYLFVJOK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-25-15-20-14-24(13-19-4-10-26-16-19)17-21(20)5-8-23(9-6-21)12-18-3-2-7-22-11-18/h2-4,7,10-11,16,20H,5-6,8-9,12-15,17H2,1H3/t20-/m0/s1.

What are the key properties of (4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane?

(4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 371.55 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 124796710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).