N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride

C24H31Cl2N3O4S — CID 67705289

About N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride

N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride (PubChem CID 67705289) has the molecular formula C24H31Cl2N3O4S and a molecular weight of 528.50 g/mol. Its IUPAC name is N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride
• PubChem CID: 67705289
• Molecular Formula: C24H31Cl2N3O4S
• Molecular Weight: 528.50 g/mol
• Exact Mass: 527.14
• IUPAC Name: N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride
• SMILES: CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN([C@@H]3CCc4cc(N)ccc4C3)CC1)O2.Cl.Cl
• InChI: InChI=1S/C24H29N3O4S.2ClH/c1-32(29,30)26-19-5-7-23-21(14-19)22(28)15-24(31-23)8-10-27(11-9-24)20-6-3-16-12-18(25)4-2-17(16)13-20;;/h2,4-5,7,12,14,20,26H,3,6,8-11,13,15,25H2,1H3;2*1H/t20-;;/m1../s1
• InChIKey: DJPWAMGBYNISIW-FAVHNTAZSA-N
• XLogP: 3.84
• TPSA: 101.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.50
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride?

The IUPAC name of N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride (CID 67705289) is N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride.

What is the SMILES notation for N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride?

The canonical SMILES for N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride is CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN([C@@H]3CCc4cc(N)ccc4C3)CC1)O2.Cl.Cl.

What is the InChIKey of N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride?

The InChIKey is DJPWAMGBYNISIW-FAVHNTAZSA-N. The full InChI is InChI=1S/C24H29N3O4S.2ClH/c1-32(29,30)26-19-5-7-23-21(14-19)22(28)15-24(31-23)8-10-27(11-9-24)20-6-3-16-12-18(25)4-2-17(16)13-20;;/h2,4-5,7,12,14,20,26H,3,6,8-11,13,15,25H2,1H3;2*1H/t20-;;/m1../s1.

What are the key properties of N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride?

N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride has a molecular weight of 528.50 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1'-[(2R)-6-amino-1,2,3,4-tetrahydronaphthalen-2-yl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;dihydrochloride is sourced from PubChem (CID 67705289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).