1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one

C13H15NO3S — CID 59674661

IUPAC1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCNCC2)S(=O)(=O)c2ccccc21
InChIInChI=1S/C13H15NO3S/c15-11-9-13(5-7-14-8-6-13)18(16,17)12-4-2-1-3-10(11)12/h1-4,14H,5-9H2
InChIKeyYRCBOPNUWMZPIY-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.17
Rot. Bonds

About 1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one

1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one (PubChem CID 59674661) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one
PubChem CID59674661
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCNCC2)S(=O)(=O)c2ccccc21
InChIInChI=1S/C13H15NO3S/c15-11-9-13(5-7-14-8-6-13)18(16,17)12-4-2-1-3-10(11)12/h1-4,14H,5-9H2
InChIKeyYRCBOPNUWMZPIY-UHFFFAOYSA-N
XLogP1.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one?
The IUPAC name of 1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one (CID 59674661) is 1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one is O=C1CC2(CCNCC2)S(=O)(=O)c2ccccc21.
What is the InChIKey of 1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one?
The InChIKey is YRCBOPNUWMZPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c15-11-9-13(5-7-14-8-6-13)18(16,17)12-4-2-1-3-10(11)12/h1-4,14H,5-9H2.
What are the key properties of 1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one?
1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one has a molecular weight of 265.33 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 59674661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).