(3R)-1'-methylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one

C13H15NO4S — CID 99903411

IUPAC(3R)-1'-methylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESCS(=O)(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12
InChIInChI=1S/C13H15NO4S/c1-19(16,17)14-8-4-7-13(9-14)11-6-3-2-5-10(11)12(15)18-13/h2-3,5-6H,4,7-9H2,1H3/t13-/m0/s1
InChIKeyYINJBXTWPUYKDN-ZDUSSCGKSA-N
MW281.33 g/mol
LogP1.11
Rot. Bonds1

About (3R)-1'-methylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one

(3R)-1'-methylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 99903411) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is (3R)-1'-methylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name(3R)-1'-methylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID99903411
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name(3R)-1'-methylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESCS(=O)(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12
InChIInChI=1S/C13H15NO4S/c1-19(16,17)14-8-4-7-13(9-14)11-6-3-2-5-10(11)12(15)18-13/h2-3,5-6H,4,7-9H2,1H3/t13-/m0/s1
InChIKeyYINJBXTWPUYKDN-ZDUSSCGKSA-N
XLogP1.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-morpholin-4-ylpropyl)-3H-2-benzofuran-1-one
CID 168275908
3-(Morpholin-4-ylmethyl)-3-phenyl-2-benzofuran-1-one
CID 156435091
1'-(methylsulfonyl)-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
CID 76148778
N,N-dimethyl-3-oxo-3H-spiro[2-benzofuran-1,4'-piperidine]-1'-sulfonamide
CID 76148782
(3R)-1'-(cyclobutanecarbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 99882983
(R)-1'-(phenylsulfonyl)-3H-spiro[isobenzofuran-1,3'-piperidin]-3-one
CID 99903413
1'-[4-(4-Fluorophenyl)-4-oxobutyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 21506808
Tert-butyl 4-[(1-methyl-3-oxo-2-benzofuran-1-yl)methyl]piperazine-1-carboxylate
CID 134959028
3-Methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one
CID 134959260
3-(Diethylaminomethyl)-3-methyl-2-benzofuran-1-one
CID 134967601
3-Methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one
CID 134967676
3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one
CID 134967697

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-methylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of (3R)-1'-methylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one (CID 99903411) is (3R)-1'-methylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for (3R)-1'-methylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for (3R)-1'-methylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one is CS(=O)(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12.
What is the InChIKey of (3R)-1'-methylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is YINJBXTWPUYKDN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-19(16,17)14-8-4-7-13(9-14)11-6-3-2-5-10(11)12(15)18-13/h2-3,5-6H,4,7-9H2,1H3/t13-/m0/s1.
What are the key properties of (3R)-1'-methylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one?
(3R)-1'-methylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 281.33 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-methylsulfonylspiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 99903411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).