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

C21H24N2O4S — CID 91904609

IUPAC1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(S(=O)(=O)c3cccc(OC)c3)CC2)c2ccccc21
InChIInChI=1S/C21H24N2O4S/c1-3-23-19-10-5-4-9-18(19)21(20(23)24)11-13-22(14-12-21)28(25,26)17-8-6-7-16(15-17)27-2/h4-10,15H,3,11-14H2,1-2H3
InChIKeyDUJXNDNMUBFBIV-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.78
Rot. Bonds4

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

1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 91904609) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
PubChem CID91904609
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(S(=O)(=O)c3cccc(OC)c3)CC2)c2ccccc21
InChIInChI=1S/C21H24N2O4S/c1-3-23-19-10-5-4-9-18(19)21(20(23)24)11-13-22(14-12-21)28(25,26)17-8-6-7-16(15-17)27-2/h4-10,15H,3,11-14H2,1-2H3
InChIKeyDUJXNDNMUBFBIV-UHFFFAOYSA-N
XLogP2.78
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one (CID 91904609) is 1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one is CCN1C(=O)C2(CCN(S(=O)(=O)c3cccc(OC)c3)CC2)c2ccccc21.
What is the InChIKey of 1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is DUJXNDNMUBFBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-3-23-19-10-5-4-9-18(19)21(20(23)24)11-13-22(14-12-21)28(25,26)17-8-6-7-16(15-17)27-2/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of 1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one?
1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 400.50 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1'-(3-methoxyphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 91904609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).