(3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C19H32N2OS — CID 97375014

About (3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane

(3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 97375014) has the molecular formula C19H32N2OS and a molecular weight of 336.55 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

• Compound Name: (3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
• PubChem CID: 97375014
• Molecular Formula: C19H32N2OS
• Molecular Weight: 336.55 g/mol
• Exact Mass: 336.22
• IUPAC Name: (3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
• SMILES: COC[C@@H]1CC2(CCN(Cc3ccc(C)s3)CC2)CN1C(C)C
• InChI: InChI=1S/C19H32N2OS/c1-15(2)21-14-19(11-17(21)13-22-4)7-9-20(10-8-19)12-18-6-5-16(3)23-18/h5-6,15,17H,7-14H2,1-4H3/t17-/m0/s1
• InChIKey: CFOAIVOFQGPHMF-KRWDZBQOSA-N
• XLogP: 3.77
• TPSA: 15.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.55
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane?

The IUPAC name of (3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 97375014) is (3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

What is the SMILES notation for (3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane?

The canonical SMILES for (3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane is COC[C@@H]1CC2(CCN(Cc3ccc(C)s3)CC2)CN1C(C)C.

What is the InChIKey of (3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane?

The InChIKey is CFOAIVOFQGPHMF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32N2OS/c1-15(2)21-14-19(11-17(21)13-22-4)7-9-20(10-8-19)12-18-6-5-16(3)23-18/h5-6,15,17H,7-14H2,1-4H3/t17-/m0/s1.

What are the key properties of (3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane?

(3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 336.55 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97375014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).