6-methoxy-1'-(3-methylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C17H27NO2S — CID 25129512

IUPAC6-methoxy-1'-(3-methylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2sccc2C2(CCN(CCC(C)C)CC2)O1
InChIInChI=1S/C17H27NO2S/c1-13(2)4-8-18-9-6-17(7-10-18)14-5-11-21-15(14)12-16(19-3)20-17/h5,11,13,16H,4,6-10,12H2,1-3H3
InChIKeyHVNLHKYTEKRJPK-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.63
Rot. Bonds4

About 6-methoxy-1'-(3-methylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

6-methoxy-1'-(3-methylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 25129512) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 6-methoxy-1'-(3-methylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name6-methoxy-1'-(3-methylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID25129512
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name6-methoxy-1'-(3-methylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2sccc2C2(CCN(CCC(C)C)CC2)O1
InChIInChI=1S/C17H27NO2S/c1-13(2)4-8-18-9-6-17(7-10-18)14-5-11-21-15(14)12-16(19-3)20-17/h5,11,13,16H,4,6-10,12H2,1-3H3
InChIKeyHVNLHKYTEKRJPK-UHFFFAOYSA-N
XLogP3.63
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-(3-methylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 6-methoxy-1'-(3-methylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 25129512) is 6-methoxy-1'-(3-methylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 6-methoxy-1'-(3-methylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 6-methoxy-1'-(3-methylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is COC1Cc2sccc2C2(CCN(CCC(C)C)CC2)O1.
What is the InChIKey of 6-methoxy-1'-(3-methylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is HVNLHKYTEKRJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-13(2)4-8-18-9-6-17(7-10-18)14-5-11-21-15(14)12-16(19-3)20-17/h5,11,13,16H,4,6-10,12H2,1-3H3.
What are the key properties of 6-methoxy-1'-(3-methylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
6-methoxy-1'-(3-methylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 309.48 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-(3-methylbutyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 25129512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).