(2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide

C21H25N3O3S — CID 166614292

IUPAC(2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@]2(C(=O)Nc3ccccc32)[C@@H]1CCc1ccccc1
InChIInChI=1S/C21H25N3O3S/c1-23(2)28(26,27)24-15-14-21(17-10-6-7-11-18(17)22-20(21)25)19(24)13-12-16-8-4-3-5-9-16/h3-11,19H,12-15H2,1-2H3,(H,22,25)/t19-,21-/m0/s1
InChIKeyAGFYYSXUMINWMZ-FPOVZHCZSA-N
MW399.52 g/mol
LogP2.39
Rot. Bonds5

About (2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide

(2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide (PubChem CID 166614292) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is (2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide.

Molecular Properties

Compound Name(2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide
PubChem CID166614292
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name(2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@]2(C(=O)Nc3ccccc32)[C@@H]1CCc1ccccc1
InChIInChI=1S/C21H25N3O3S/c1-23(2)28(26,27)24-15-14-21(17-10-6-7-11-18(17)22-20(21)25)19(24)13-12-16-8-4-3-5-9-16/h3-11,19H,12-15H2,1-2H3,(H,22,25)/t19-,21-/m0/s1
InChIKeyAGFYYSXUMINWMZ-FPOVZHCZSA-N
XLogP2.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2'S,3R)-1'-ethylsulfonyl-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171322090
(2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612568
(2'S,3R)-1'-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612604
(2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622561
2-[2-oxo-2-[(2'S,3R)-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethoxy]acetamide
CID 166621885
(2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623275
(3R)-N,N-dimethyl-2-oxospiro[1H-indole-3,3'-piperidine]-1'-sulfonamide
CID 95707296
(2'S,3S)-2'-propyl-1'-(3-pyridin-4-ylpropanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618565
(2'S,3R)-1'-(3-methylsulfonylpropanoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615313
2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 123234321
N,N-dimethyl-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 45245585
(2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622560

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide?
The IUPAC name of (2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide (CID 166614292) is (2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide.
What is the SMILES notation for (2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide?
The canonical SMILES for (2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide is CN(C)S(=O)(=O)N1CC[C@@]2(C(=O)Nc3ccccc32)[C@@H]1CCc1ccccc1.
What is the InChIKey of (2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide?
The InChIKey is AGFYYSXUMINWMZ-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-23(2)28(26,27)24-15-14-21(17-10-6-7-11-18(17)22-20(21)25)19(24)13-12-16-8-4-3-5-9-16/h3-11,19H,12-15H2,1-2H3,(H,22,25)/t19-,21-/m0/s1.
What are the key properties of (2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide?
(2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide has a molecular weight of 399.52 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide is sourced from PubChem (CID 166614292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).