1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one

C23H26N2O3S — CID 91904611

IUPAC1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c2ccccc21
InChIInChI=1S/C23H26N2O3S/c1-2-25-21-9-4-3-8-20(21)23(22(25)26)12-14-24(15-13-23)29(27,28)19-11-10-17-6-5-7-18(17)16-19/h3-4,8-11,16H,2,5-7,12-15H2,1H3
InChIKeyNATVXYPSAMHTEX-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.26
Rot. Bonds3

About 1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one

1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 91904611) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one
PubChem CID91904611
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c2ccccc21
InChIInChI=1S/C23H26N2O3S/c1-2-25-21-9-4-3-8-20(21)23(22(25)26)12-14-24(15-13-23)29(27,28)19-11-10-17-6-5-7-18(17)16-19/h3-4,8-11,16H,2,5-7,12-15H2,1H3
InChIKeyNATVXYPSAMHTEX-UHFFFAOYSA-N
XLogP3.26
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
CID 91904617
1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
CID 91904609
2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid
CID 59564958
1'-ethylspiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 11615676
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
CID 43084113
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871391
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(3S)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazine
CID 129369354
2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile
CID 97400115
1-(2-chlorophenyl)sulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 26945246
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-pentylsulfonylpiperazine
CID 86937206
6-(azepan-1-ylsulfonyl)-1-ethyl-3,4-dihydroquinolin-2-one
CID 119055603

Frequently Asked Questions

What is the IUPAC name of 1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one (CID 91904611) is 1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one is CCN1C(=O)C2(CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c2ccccc21.
What is the InChIKey of 1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is NATVXYPSAMHTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-2-25-21-9-4-3-8-20(21)23(22(25)26)12-14-24(15-13-23)29(27,28)19-11-10-17-6-5-7-18(17)16-19/h3-4,8-11,16H,2,5-7,12-15H2,1H3.
What are the key properties of 1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one?
1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 410.54 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 91904611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).