6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile

C17H17N3OS — CID 135120854

IUPAC6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC3(CC2)OCCc2ccsc23)n1
InChIInChI=1S/C17H17N3OS/c18-12-14-2-1-3-15(19-14)20-8-6-17(7-9-20)16-13(4-10-21-17)5-11-22-16/h1-3,5,11H,4,6-10H2
InChIKeyQCAHBFCMSCZKHQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.08
Rot. Bonds1

About 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile

6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile (PubChem CID 135120854) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile
PubChem CID135120854
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC3(CC2)OCCc2ccsc23)n1
InChIInChI=1S/C17H17N3OS/c18-12-14-2-1-3-15(19-14)20-8-6-17(7-9-20)16-13(4-10-21-17)5-11-22-16/h1-3,5,11H,4,6-10H2
InChIKeyQCAHBFCMSCZKHQ-UHFFFAOYSA-N
XLogP3.08
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile?
The IUPAC name of 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile (CID 135120854) is 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile.
What is the SMILES notation for 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile?
The canonical SMILES for 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile is N#Cc1cccc(N2CCC3(CC2)OCCc2ccsc23)n1.
What is the InChIKey of 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile?
The InChIKey is QCAHBFCMSCZKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c18-12-14-2-1-3-15(19-14)20-8-6-17(7-9-20)16-13(4-10-21-17)5-11-22-16/h1-3,5,11H,4,6-10H2.
What are the key properties of 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile?
6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile has a molecular weight of 311.41 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile is sourced from PubChem (CID 135120854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).