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

C20H23NS — CID 10380647

IUPAC1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine]
SMILESc1ccc(CN2CCC3(CCc4ccccc4S3)CC2)cc1
InChIInChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2
InChIKeyFPSFVONLLBIZFK-UHFFFAOYSA-N
MW309.48 g/mol
LogP4.76
Rot. Bonds2

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

1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] (PubChem CID 10380647) has the molecular formula C20H23NS and a molecular weight of 309.48 g/mol. Its IUPAC name is 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine]
PubChem CID10380647
Molecular FormulaC20H23NS
Molecular Weight309.48 g/mol
Exact Mass309.16
IUPAC Name1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine]
SMILESc1ccc(CN2CCC3(CCc4ccccc4S3)CC2)cc1
InChIInChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2
InChIKeyFPSFVONLLBIZFK-UHFFFAOYSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
Prothixene
CID 71115
1'-[2-(2,4-Difluorophenyl)ethyl]spiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide
CID 10971209
4-Methyl-1-(3-thioxanthen-9-ylidenepropyl)piperidine
CID 44310664
1-benzyl-4-(3,4-dihydro-2H-thiochromen-2-yl)piperidine
CID 45487204
4-Benzyl-1-[4-(methylthio)benzyl]piperidine
CID 1377005
10-Piperazino-10,11-dihydrodibenzo-[b,f]thiepin
CID 199699
1-[2-(Phenylsulfanyl)benzyl]pyrrolidine
CID 827143
4-Benzyl-1-(2-phenylsulfanyl-ethyl)-piperidine
CID 12045832

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine]?
The IUPAC name of 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] (CID 10380647) is 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine].
What is the SMILES notation for 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine]?
The canonical SMILES for 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] is c1ccc(CN2CCC3(CCc4ccccc4S3)CC2)cc1.
What is the InChIKey of 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine]?
The InChIKey is FPSFVONLLBIZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NS/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-9H,10-16H2.
What are the key properties of 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine]?
1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] has a molecular weight of 309.48 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-piperidine] is sourced from PubChem (CID 10380647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).