1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile

C19H20N2OS — CID 25167085

IUPAC1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile
SMILESN#CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H20N2OS/c20-13-16-12-18-17(6-11-23-18)19(22-16)7-9-21(10-8-19)14-15-4-2-1-3-5-15/h1-6,11,16H,7-10,12,14H2
InChIKeyFCPLEHUDSKEWJL-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.70
Rot. Bonds2

About 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile

1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile (PubChem CID 25167085) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile.

Molecular Properties

Compound Name1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile
PubChem CID25167085
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile
SMILESN#CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H20N2OS/c20-13-16-12-18-17(6-11-23-18)19(22-16)7-9-21(10-8-19)14-15-4-2-1-3-5-15/h1-6,11,16H,7-10,12,14H2
InChIKeyFCPLEHUDSKEWJL-UHFFFAOYSA-N
XLogP3.70
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile?
The IUPAC name of 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile (CID 25167085) is 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile.
What is the SMILES notation for 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile?
The canonical SMILES for 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile is N#CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile?
The InChIKey is FCPLEHUDSKEWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c20-13-16-12-18-17(6-11-23-18)19(22-16)7-9-21(10-8-19)14-15-4-2-1-3-5-15/h1-6,11,16H,7-10,12,14H2.
What are the key properties of 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile?
1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile has a molecular weight of 324.45 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile is sourced from PubChem (CID 25167085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).