6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

C16H20N2O4S — CID 143724659

IUPAC6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCNCC2)Oc2ccc(N3CCS(=O)(=O)C3)cc21
InChIInChI=1S/C16H20N2O4S/c19-14-10-16(3-5-17-6-4-16)22-15-2-1-12(9-13(14)15)18-7-8-23(20,21)11-18/h1-2,9,17H,3-8,10-11H2
InChIKeyBJSOXQIPSKNPAA-UHFFFAOYSA-N
MW336.41 g/mol
LogP0.97
Rot. Bonds1

About 6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 143724659) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID143724659
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCNCC2)Oc2ccc(N3CCS(=O)(=O)C3)cc21
InChIInChI=1S/C16H20N2O4S/c19-14-10-16(3-5-17-6-4-16)22-15-2-1-12(9-13(14)15)18-7-8-23(20,21)11-18/h1-2,9,17H,3-8,10-11H2
InChIKeyBJSOXQIPSKNPAA-UHFFFAOYSA-N
XLogP0.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 143724659) is 6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCNCC2)Oc2ccc(N3CCS(=O)(=O)C3)cc21.
What is the InChIKey of 6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is BJSOXQIPSKNPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c19-14-10-16(3-5-17-6-4-16)22-15-2-1-12(9-13(14)15)18-7-8-23(20,21)11-18/h1-2,9,17H,3-8,10-11H2.
What are the key properties of 6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 336.41 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,3-thiazolidin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 143724659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).