1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide

C20H23NO2S — CID 10521200

IUPAC1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide
SMILESO=S1(=O)c2ccccc2CCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C20H23NO2S/c22-24(23)19-9-5-4-8-18(19)10-11-20(24)12-14-21(15-13-20)16-17-6-2-1-3-7-17/h1-9H,10-16H2
InChIKeyUONOFUIISFOZLQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.44
Rot. Bonds2

About 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide

1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide (PubChem CID 10521200) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide.

Molecular Properties

Compound Name1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide
PubChem CID10521200
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide
SMILESO=S1(=O)c2ccccc2CCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C20H23NO2S/c22-24(23)19-9-5-4-8-18(19)10-11-20(24)12-14-21(15-13-20)16-17-6-2-1-3-7-17/h1-9H,10-16H2
InChIKeyUONOFUIISFOZLQ-UHFFFAOYSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Metixene
CID 4167
Pimethixene
CID 4822
Piperidine, 1-methyl-3-(9H-thioxanthen-9-ylmethyl)-, hydrochloride, hydrate (1:1:1)
CID 71177
Metixene Hydrochloride
CID 64722
1-Benzyl-4-[3-(methylsulfonyl)phenyl]piperidine
CID 22397829
Spipethiane
CID 10380647
1-(2,4-Difluorophenethyl)-4-fluoro-4-(4-fluorophenylsulfonyl)piperidine
CID 11418182
1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(3-fluoro-benzenesulfonyl)-piperidine
CID 44387732
1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(2-fluoro-benzenesulfonyl)-piperidine
CID 44387733
4-Benzenesulfonyl-1-[2-(2,4-difluoro-phenyl)-ethyl]-4-fluoro-piperidine
CID 44387746
4-Benzenesulfonyl-1-(3-phenyl-propyl)-piperidine
CID 10871642
4-Benzenesulfonyl-1-phenethyl-piperidine
CID 10991121

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide?
The IUPAC name of 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide (CID 10521200) is 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide.
What is the SMILES notation for 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide?
The canonical SMILES for 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide is O=S1(=O)c2ccccc2CCC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide?
The InChIKey is UONOFUIISFOZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c22-24(23)19-9-5-4-8-18(19)10-11-20(24)12-14-21(15-13-20)16-17-6-2-1-3-7-17/h1-9H,10-16H2.
What are the key properties of 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide?
1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide has a molecular weight of 341.48 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide is sourced from PubChem (CID 10521200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).