2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile

C20H22N2OS — CID 25167086

IUPAC2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile
SMILESN#CCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C20H22N2OS/c21-10-6-17-14-19-18(7-13-24-19)20(23-17)8-11-22(12-9-20)15-16-4-2-1-3-5-16/h1-5,7,13,17H,6,8-9,11-12,14-15H2
InChIKeyJGZBONPCLIODFA-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.09
Rot. Bonds3

About 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile

2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile (PubChem CID 25167086) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile.

Molecular Properties

Compound Name2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile
PubChem CID25167086
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile
SMILESN#CCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C20H22N2OS/c21-10-6-17-14-19-18(7-13-24-19)20(23-17)8-11-22(12-9-20)15-16-4-2-1-3-5-16/h1-5,7,13,17H,6,8-9,11-12,14-15H2
InChIKeyJGZBONPCLIODFA-UHFFFAOYSA-N
XLogP4.09
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(Cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile
CID 25110833
1-Benzyl-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129510
1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 25167087
1-(Cyclohexylmethyl)-6'',7''-dihydrospiro[piperidine-4,4''-thieno[3,2-c]pyran]
CID 25167287
[(6R)-1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl]methanol
CID 49798707
(6R)-1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 49798740
1-[(6S)-1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl]propan-2-one
CID 49798756
1'-Benzylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56651522
1'-Benzyl-6-methoxyspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56651523
4-(1'-Benzyl-6-methoxyspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]-1-yl)benzonitrile
CID 56652563
1'-Benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 70676937
1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine
CID 25164276

Frequently Asked Questions

What is the IUPAC name of 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile?
The IUPAC name of 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile (CID 25167086) is 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile.
What is the SMILES notation for 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile?
The canonical SMILES for 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile is N#CCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile?
The InChIKey is JGZBONPCLIODFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c21-10-6-17-14-19-18(7-13-24-19)20(23-17)8-11-22(12-9-20)15-16-4-2-1-3-5-16/h1-5,7,13,17H,6,8-9,11-12,14-15H2.
What are the key properties of 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile?
2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile has a molecular weight of 338.48 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetonitrile is sourced from PubChem (CID 25167086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).