1'-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]

C20H24N2O2S — CID 19261452

IUPAC1'-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]
SMILESCS(=O)(=O)N1CC2(CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C20H24N2O2S/c1-25(23,24)22-16-20(18-9-5-6-10-19(18)22)11-13-21(14-12-20)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyJEBOZWWYGVSWDE-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.00
Rot. Bonds3

About 1'-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]

1'-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine] (PubChem CID 19261452) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1'-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]
PubChem CID19261452
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name1'-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]
SMILESCS(=O)(=O)N1CC2(CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C20H24N2O2S/c1-25(23,24)22-16-20(18-9-5-6-10-19(18)22)11-13-21(14-12-20)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyJEBOZWWYGVSWDE-UHFFFAOYSA-N
XLogP3.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1'-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine] (CID 19261452) is 1'-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1'-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1'-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine] is CS(=O)(=O)N1CC2(CCN(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1'-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]?
The InChIKey is JEBOZWWYGVSWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-25(23,24)22-16-20(18-9-5-6-10-19(18)22)11-13-21(14-12-20)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3.
What are the key properties of 1'-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]?
1'-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine] has a molecular weight of 356.49 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 19261452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).