1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone

C17H19NO4S — CID 128647120

IUPAC1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1coc2ccccc12)N1CCCC2(CCS(=O)(=O)C2)C1
InChIInChI=1S/C17H19NO4S/c19-16(14-10-22-15-5-2-1-4-13(14)15)18-8-3-6-17(11-18)7-9-23(20,21)12-17/h1-2,4-5,10H,3,6-9,11-12H2
InChIKeyHRYRWAWVOFYZPJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.47
Rot. Bonds1

About 1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone

1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 128647120) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID128647120
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1coc2ccccc12)N1CCCC2(CCS(=O)(=O)C2)C1
InChIInChI=1S/C17H19NO4S/c19-16(14-10-22-15-5-2-1-4-13(14)15)18-8-3-6-17(11-18)7-9-23(20,21)12-17/h1-2,4-5,10H,3,6-9,11-12H2
InChIKeyHRYRWAWVOFYZPJ-UHFFFAOYSA-N
XLogP2.47
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of 1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone (CID 128647120) is 1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for 1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for 1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone is O=C(c1coc2ccccc12)N1CCCC2(CCS(=O)(=O)C2)C1.
What is the InChIKey of 1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is HRYRWAWVOFYZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c19-16(14-10-22-15-5-2-1-4-13(14)15)18-8-3-6-17(11-18)7-9-23(20,21)12-17/h1-2,4-5,10H,3,6-9,11-12H2.
What are the key properties of 1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone?
1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 333.41 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 128647120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).