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

C17H17N3OS — CID 135112113

IUPAC6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC3(CC2)OCCc2ccsc23)nc1
InChIInChI=1S/C17H17N3OS/c18-11-13-1-2-15(19-12-13)20-7-5-17(6-8-20)16-14(3-9-21-17)4-10-22-16/h1-2,4,10,12H,3,5-9H2
InChIKeyJABKPBPBSOHQFX-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-3-carbonitrile

6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile (PubChem CID 135112113) 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-3-carbonitrile.

Molecular Properties

Compound Name6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile
PubChem CID135112113
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-3-carbonitrile
SMILESN#Cc1ccc(N2CCC3(CC2)OCCc2ccsc23)nc1
InChIInChI=1S/C17H17N3OS/c18-11-13-1-2-15(19-12-13)20-7-5-17(6-8-20)16-14(3-9-21-17)4-10-22-16/h1-2,4,10,12H,3,5-9H2
InChIKeyJABKPBPBSOHQFX-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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Related Compounds

6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-2-carbonitrile
CID 135120854
1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 135118729
5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile
CID 135090073
6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile
CID 133413419
1'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 163310687
1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 172905950
spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 163305443
N-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine
CID 135115146
(1-methylpyrazolo[4,5-b]pyridin-6-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163305731
[4-(1,3-oxazol-5-yl)phenyl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163318328
6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile
CID 133379476
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342

Frequently Asked Questions

What is the IUPAC name of 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile?
The IUPAC name of 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile (CID 135112113) is 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile is N#Cc1ccc(N2CCC3(CC2)OCCc2ccsc23)nc1.
What is the InChIKey of 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile?
The InChIKey is JABKPBPBSOHQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c18-11-13-1-2-15(19-12-13)20-7-5-17(6-8-20)16-14(3-9-21-17)4-10-22-16/h1-2,4,10,12H,3,5-9H2.
What are the key properties of 6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile?
6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-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-3-carbonitrile is sourced from PubChem (CID 135112113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).