1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one

C14H17NO4S — CID 90618742

IUPAC1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESCCS(=O)(=O)N1CCCC2(C1)OC(=O)c1ccccc12
InChIInChI=1S/C14H17NO4S/c1-2-20(17,18)15-9-5-8-14(10-15)12-7-4-3-6-11(12)13(16)19-14/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyOOVXDFVTNWCLEN-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.50
Rot. Bonds2

About 1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one

1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 90618742) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID90618742
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESCCS(=O)(=O)N1CCCC2(C1)OC(=O)c1ccccc12
InChIInChI=1S/C14H17NO4S/c1-2-20(17,18)15-9-5-8-14(10-15)12-7-4-3-6-11(12)13(16)19-14/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyOOVXDFVTNWCLEN-UHFFFAOYSA-N
XLogP1.50
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of 1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one (CID 90618742) is 1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for 1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for 1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one is CCS(=O)(=O)N1CCCC2(C1)OC(=O)c1ccccc12.
What is the InChIKey of 1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is OOVXDFVTNWCLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-2-20(17,18)15-9-5-8-14(10-15)12-7-4-3-6-11(12)13(16)19-14/h3-4,6-7H,2,5,8-10H2,1H3.
What are the key properties of 1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one?
1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 295.36 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 90618742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).