1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one

C21H24N2O3S — CID 91904617

IUPAC1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccccc21
InChIInChI=1S/C21H24N2O3S/c1-3-23-19-7-5-4-6-18(19)21(20(23)24)12-14-22(15-13-21)27(25,26)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3
InChIKeyLSWFPOFZRLQOLL-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.08
Rot. Bonds3

About 1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one

1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 91904617) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
PubChem CID91904617
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccccc21
InChIInChI=1S/C21H24N2O3S/c1-3-23-19-7-5-4-6-18(19)21(20(23)24)12-14-22(15-13-21)27(25,26)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3
InChIKeyLSWFPOFZRLQOLL-UHFFFAOYSA-N
XLogP3.08
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one
CID 91904611
1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
CID 91904609
1'-ethylspiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 11615676
2-(1'-naphthalen-2-ylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetic acid
CID 59564958
2-[1'-[4-(5-fluoropyrimidin-2-yl)phenyl]sulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetic acid
CID 59564952
4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine
CID 3030557
2-(1'-methylsulfonyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetonitrile
CID 97400115
(3S)-1'-(4-chlorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103986
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
(1R,5R,12S,16S)-3,14-bis-(4-methylphenyl)sulfonyl-3,14-diazaheptacyclo[14.6.2.25,12.01,5.06,11.012,16.017,22]hexacosa-6,8,10,17,19,21,23,25-octaene
CID 132511082
(1R,5S,12R,16S)-3,14-bis-(4-methylphenyl)sulfonyl-3,14-diazaheptacyclo[14.6.2.25,12.01,5.06,11.012,16.017,22]hexacosa-6,8,10,17,19,21,23,25-octaene
CID 132511083
1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one
CID 91914391

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one (CID 91904617) is 1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one is CCN1C(=O)C2(CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccccc21.
What is the InChIKey of 1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is LSWFPOFZRLQOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-3-23-19-7-5-4-6-18(19)21(20(23)24)12-14-22(15-13-21)27(25,26)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3.
What are the key properties of 1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one?
1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 384.50 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 91904617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).