1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one

C12H14N2O3S — CID 145377897

IUPAC1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCS(=O)(=O)N1CCCC12C(=O)Nc1ccccc12
InChIInChI=1S/C12H14N2O3S/c1-18(16,17)14-8-4-7-12(14)9-5-2-3-6-10(9)13-11(12)15/h2-3,5-6H,4,7-8H2,1H3,(H,13,15)
InChIKeyFVSSYZCIGBJRTK-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.89
Rot. Bonds1

About 1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one

1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one (PubChem CID 145377897) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one
PubChem CID145377897
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCS(=O)(=O)N1CCCC12C(=O)Nc1ccccc12
InChIInChI=1S/C12H14N2O3S/c1-18(16,17)14-8-4-7-12(14)9-5-2-3-6-10(9)13-11(12)15/h2-3,5-6H,4,7-8H2,1H3,(H,13,15)
InChIKeyFVSSYZCIGBJRTK-UHFFFAOYSA-N
XLogP0.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N,N-dimethyl-2-oxospiro[1H-indole-3,3'-piperidine]-1'-sulfonamide
CID 95707296
(3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95716797
methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid
CID 59564965
1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 10199060
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
methyl (1S,3S,8S)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-1-carboxylate
CID 129408698
(4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one
CID 134396434
1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one
CID 56904006
(3S)-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one
CID 95717935
1'-ethyl-2',2'-dimethylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 15453222

Frequently Asked Questions

What is the IUPAC name of 1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of 1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one (CID 145377897) is 1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for 1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one is CS(=O)(=O)N1CCCC12C(=O)Nc1ccccc12.
What is the InChIKey of 1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The InChIKey is FVSSYZCIGBJRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-18(16,17)14-8-4-7-12(14)9-5-2-3-6-10(9)13-11(12)15/h2-3,5-6H,4,7-8H2,1H3,(H,13,15).
What are the key properties of 1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one has a molecular weight of 266.32 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylsulfonylspiro[1H-indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 145377897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).