(2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane

C23H34ClN3O2S — CID 169428011

IUPAC(2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane
SMILESCNC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1C1CCCC1.S
InChIInChI=1S/C23H32ClN3O2.H2S/c1-22(2,3)12-17-23(15-10-9-14(24)11-16(15)26-21(23)29)18(13-7-5-6-8-13)19(27-17)20(28)25-4;/h9-11,13,17-19,27H,5-8,12H2,1-4H3,(H,25,28)(H,26,29);1H2/t17-,18+,19-,23+;/m1./s1
InChIKeyOCFMAIHAWSEBMC-SXTPKTQFSA-N
MW452.06 g/mol
LogP3.97
Rot. Bonds3

About (2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane

(2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane (PubChem CID 169428011) has the molecular formula C23H34ClN3O2S and a molecular weight of 452.06 g/mol. Its IUPAC name is (2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane.

Molecular Properties

Compound Name(2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane
PubChem CID169428011
Molecular FormulaC23H34ClN3O2S
Molecular Weight452.06 g/mol
Exact Mass451.21
IUPAC Name(2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane
SMILESCNC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1C1CCCC1.S
InChIInChI=1S/C23H32ClN3O2.H2S/c1-22(2,3)12-17-23(15-10-9-14(24)11-16(15)26-21(23)29)18(13-7-5-6-8-13)19(27-17)20(28)25-4;/h9-11,13,17-19,27H,5-8,12H2,1-4H3,(H,25,28)(H,26,29);1H2/t17-,18+,19-,23+;/m1./s1
InChIKeyOCFMAIHAWSEBMC-SXTPKTQFSA-N
XLogP3.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.06
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane with MolForge

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Related Compounds

(2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 59385560
6-chloro-3'-(4-chlorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 66632915
6-chloro-3'-(4-chlorophenyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 67287374
(2'R,3R,3'R,5'S)-6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 69498011
(2'R,3S,3'R,5'R)-3'-benzyl-6-chloro-5'-(2,2-dimethylpropyl)-N-(4-hydroxycyclohexyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 90079162
6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 66625042
(2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(2-cyclohexylethyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 59385503
6-chloro-5'-(2,2-dimethylpropyl)-3'-(3-iodophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 66632730
6-chloro-5'-(2,2-dimethylpropyl)-2-oxo-3'-thiophen-2-ylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 66633081
(3R,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-(4-hydroxycyclohexyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 130215108
tert-butyl (2'R,3R,3'S,5'S)-6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 66625211
(2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxo-N-(3-oxocyclobutyl)spiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 52937953

Frequently Asked Questions

What is the IUPAC name of (2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane?
The IUPAC name of (2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane (CID 169428011) is (2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane.
What is the SMILES notation for (2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane?
The canonical SMILES for (2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane is CNC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1C1CCCC1.S.
What is the InChIKey of (2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane?
The InChIKey is OCFMAIHAWSEBMC-SXTPKTQFSA-N. The full InChI is InChI=1S/C23H32ClN3O2.H2S/c1-22(2,3)12-17-23(15-10-9-14(24)11-16(15)26-21(23)29)18(13-7-5-6-8-13)19(27-17)20(28)25-4;/h9-11,13,17-19,27H,5-8,12H2,1-4H3,(H,25,28)(H,26,29);1H2/t17-,18+,19-,23+;/m1./s1.
What are the key properties of (2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane?
(2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane has a molecular weight of 452.06 g/mol, XLogP of 3.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane is sourced from PubChem (CID 169428011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).