6-methoxy-1'-pentylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C17H27NO2S — CID 25129864

IUPAC6-methoxy-1'-pentylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCCCCCN1CCC2(CC1)OC(OC)Cc1sccc12
InChIInChI=1S/C17H27NO2S/c1-3-4-5-9-18-10-7-17(8-11-18)14-6-12-21-15(14)13-16(19-2)20-17/h6,12,16H,3-5,7-11,13H2,1-2H3
InChIKeyJVKKJHIXRIZNIE-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.77
Rot. Bonds5

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

6-methoxy-1'-pentylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 25129864) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 6-methoxy-1'-pentylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name6-methoxy-1'-pentylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID25129864
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name6-methoxy-1'-pentylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCCCCCN1CCC2(CC1)OC(OC)Cc1sccc12
InChIInChI=1S/C17H27NO2S/c1-3-4-5-9-18-10-7-17(8-11-18)14-6-12-21-15(14)13-16(19-2)20-17/h6,12,16H,3-5,7-11,13H2,1-2H3
InChIKeyJVKKJHIXRIZNIE-UHFFFAOYSA-N
XLogP3.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129510
6-Methoxy-1-(3-methylbutyl)-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129512
1-(4-Fluorobenzyl)-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129862
6-Methoxy-1-(3-methylbut-2-enyl)-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129863
1-(Cyclohexylmethyl)-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2c]pyran]
CID 25129867
1-(Cyclohexylmethyl)-6'',7''-dihydrospiro[piperidine-4,4''-thieno[3,2-c]pyran]
CID 25167287
(6R)-1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 49798740
(6R)-1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 49798743
(6R)-6-methoxy-1'-(3-methylbut-2-enyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 49798744
1'-Benzyl-6-methoxyspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56651523
1'-Benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56652221
6-Methoxy-1-(2-phenylethyl)-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyrane]
CID 25129866

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-pentylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 6-methoxy-1'-pentylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 25129864) is 6-methoxy-1'-pentylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 6-methoxy-1'-pentylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 6-methoxy-1'-pentylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is CCCCCN1CCC2(CC1)OC(OC)Cc1sccc12.
What is the InChIKey of 6-methoxy-1'-pentylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is JVKKJHIXRIZNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-4-5-9-18-10-7-17(8-11-18)14-6-12-21-15(14)13-16(19-2)20-17/h6,12,16H,3-5,7-11,13H2,1-2H3.
What are the key properties of 6-methoxy-1'-pentylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
6-methoxy-1'-pentylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 309.48 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-pentylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 25129864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).