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

C13H18N2O2S — CID 11140073

IUPAC1-methylsulfonylspiro[2H-indole-3,4'-piperidine]
SMILESCS(=O)(=O)N1CC2(CCNCC2)c2ccccc21
InChIInChI=1S/C13H18N2O2S/c1-18(16,17)15-10-13(6-8-14-9-7-13)11-4-2-3-5-12(11)15/h2-5,14H,6-10H2,1H3
InChIKeyNSECJXCOETXUHS-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.09
Rot. Bonds1

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

1-methylsulfonylspiro[2H-indole-3,4'-piperidine] (PubChem CID 11140073) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-methylsulfonylspiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1-methylsulfonylspiro[2H-indole-3,4'-piperidine]
PubChem CID11140073
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-methylsulfonylspiro[2H-indole-3,4'-piperidine]
SMILESCS(=O)(=O)N1CC2(CCNCC2)c2ccccc21
InChIInChI=1S/C13H18N2O2S/c1-18(16,17)15-10-13(6-8-14-9-7-13)11-4-2-3-5-12(11)15/h2-5,14H,6-10H2,1H3
InChIKeyNSECJXCOETXUHS-UHFFFAOYSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylspiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1-methylsulfonylspiro[2H-indole-3,4'-piperidine] (CID 11140073) is 1-methylsulfonylspiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1-methylsulfonylspiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1-methylsulfonylspiro[2H-indole-3,4'-piperidine] is CS(=O)(=O)N1CC2(CCNCC2)c2ccccc21.
What is the InChIKey of 1-methylsulfonylspiro[2H-indole-3,4'-piperidine]?
The InChIKey is NSECJXCOETXUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-18(16,17)15-10-13(6-8-14-9-7-13)11-4-2-3-5-12(11)15/h2-5,14H,6-10H2,1H3.
What are the key properties of 1-methylsulfonylspiro[2H-indole-3,4'-piperidine]?
1-methylsulfonylspiro[2H-indole-3,4'-piperidine] has a molecular weight of 266.37 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylspiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 11140073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).