N-[(1R,2R)-2-methoxy-1'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide

C26H32N2O5S — CID 26344005

About N-[(1R,2R)-2-methoxy-1'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide

N-[(1R,2R)-2-methoxy-1'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide (PubChem CID 26344005) has the molecular formula C26H32N2O5S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-2-methoxy-1'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
• PubChem CID: 26344005
• Molecular Formula: C26H32N2O5S
• Molecular Weight: 484.62 g/mol
• Exact Mass: 484.20
• IUPAC Name: N-[(1R,2R)-2-methoxy-1'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
• SMILES: COc1cc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)CSC)[C@@H]3OC)cc2c1OCO2
• InChI: InChI=1S/C26H32N2O5S/c1-30-20-12-17(13-21-24(20)33-16-32-21)14-28-10-8-26(9-11-28)19-7-5-4-6-18(19)23(25(26)31-2)27-22(29)15-34-3/h4-7,12-13,23,25H,8-11,14-16H2,1-3H3,(H,27,29)/t23-,25+/m1/s1
• InChIKey: RJRZTSRUBDNDKS-NOZRDPDXSA-N
• XLogP: 3.51
• TPSA: 69.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.62
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxy-1'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide?

The IUPAC name of N-[(1R,2R)-2-methoxy-1'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide (CID 26344005) is N-[(1R,2R)-2-methoxy-1'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide.

What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide?

The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide is COc1cc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)CSC)[C@@H]3OC)cc2c1OCO2.

What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide?

The InChIKey is RJRZTSRUBDNDKS-NOZRDPDXSA-N. The full InChI is InChI=1S/C26H32N2O5S/c1-30-20-12-17(13-21-24(20)33-16-32-21)14-28-10-8-26(9-11-28)19-7-5-4-6-18(19)23(25(26)31-2)27-22(29)15-34-3/h4-7,12-13,23,25H,8-11,14-16H2,1-3H3,(H,27,29)/t23-,25+/m1/s1.

What are the key properties of N-[(1R,2R)-2-methoxy-1'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide?

N-[(1R,2R)-2-methoxy-1'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide has a molecular weight of 484.62 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-2-methoxy-1'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide is sourced from PubChem (CID 26344005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).