1'-benzylsulfonylspiro[indene-1,4'-piperidine]

C20H21NO2S — CID 10246584

IUPAC1'-benzylsulfonylspiro[indene-1,4'-piperidine]
SMILESO=S(=O)(Cc1ccccc1)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C20H21NO2S/c22-24(23,16-17-6-2-1-3-7-17)21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20/h1-11H,12-16H2
InChIKeyLSARVEVVBKXHAD-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.58
Rot. Bonds3

About 1'-benzylsulfonylspiro[indene-1,4'-piperidine]

1'-benzylsulfonylspiro[indene-1,4'-piperidine] (PubChem CID 10246584) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1'-benzylsulfonylspiro[indene-1,4'-piperidine].

Molecular Properties

Compound Name1'-benzylsulfonylspiro[indene-1,4'-piperidine]
PubChem CID10246584
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name1'-benzylsulfonylspiro[indene-1,4'-piperidine]
SMILESO=S(=O)(Cc1ccccc1)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C20H21NO2S/c22-24(23,16-17-6-2-1-3-7-17)21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20/h1-11H,12-16H2
InChIKeyLSARVEVVBKXHAD-UHFFFAOYSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylsulfonylspiro[indene-1,4'-piperidine]?
The IUPAC name of 1'-benzylsulfonylspiro[indene-1,4'-piperidine] (CID 10246584) is 1'-benzylsulfonylspiro[indene-1,4'-piperidine].
What is the SMILES notation for 1'-benzylsulfonylspiro[indene-1,4'-piperidine]?
The canonical SMILES for 1'-benzylsulfonylspiro[indene-1,4'-piperidine] is O=S(=O)(Cc1ccccc1)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 1'-benzylsulfonylspiro[indene-1,4'-piperidine]?
The InChIKey is LSARVEVVBKXHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c22-24(23,16-17-6-2-1-3-7-17)21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20/h1-11H,12-16H2.
What are the key properties of 1'-benzylsulfonylspiro[indene-1,4'-piperidine]?
1'-benzylsulfonylspiro[indene-1,4'-piperidine] has a molecular weight of 339.46 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylsulfonylspiro[indene-1,4'-piperidine] is sourced from PubChem (CID 10246584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).