6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one

C20H22N2O4S2 — CID 163315554

About 6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one

6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 163315554) has the molecular formula C20H22N2O4S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 163315554
• Molecular Formula: C20H22N2O4S2
• Molecular Weight: 418.54 g/mol
• Exact Mass: 418.10
• IUPAC Name: 6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one
• SMILES: O=C1CCc2cc(S(=O)(=O)N3CCC4(CC3)OCCc3sccc34)ccc2N1
• InChI: InChI=1S/C20H22N2O4S2/c23-19-4-1-14-13-15(2-3-17(14)21-19)28(24,25)22-9-7-20(8-10-22)16-6-12-27-18(16)5-11-26-20/h2-3,6,12-13H,1,4-5,7-11H2,(H,21,23)
• InChIKey: BFIZFJNLRMISOZ-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.54
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 163315554) is 6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(S(=O)(=O)N3CCC4(CC3)OCCc3sccc34)ccc2N1.

What is the InChIKey of 6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is BFIZFJNLRMISOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S2/c23-19-4-1-14-13-15(2-3-17(14)21-19)28(24,25)22-9-7-20(8-10-22)16-6-12-27-18(16)5-11-26-20/h2-3,6,12-13H,1,4-5,7-11H2,(H,21,23).

What are the key properties of 6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one?

6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 418.54 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylsulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 163315554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).