1-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-N,N-dimethylmethanamine

C22H30N2O2S — CID 25164480

IUPAC1-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-N,N-dimethylmethanamine
SMILESCOC1Cc2sc(CN(C)C)cc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C22H30N2O2S/c1-23(2)16-18-13-19-20(27-18)14-21(25-3)26-22(19)9-11-24(12-10-22)15-17-7-5-4-6-8-17/h4-8,13,21H,9-12,14-16H2,1-3H3
InChIKeyFKYCTFBWCJNXIZ-UHFFFAOYSA-N
MW386.56 g/mol
LogP3.85
Rot. Bonds5

About 1-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-N,N-dimethylmethanamine

1-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-N,N-dimethylmethanamine (PubChem CID 25164480) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 1-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-N,N-dimethylmethanamine
PubChem CID25164480
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name1-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-N,N-dimethylmethanamine
SMILESCOC1Cc2sc(CN(C)C)cc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C22H30N2O2S/c1-23(2)16-18-13-19-20(27-18)14-21(25-3)26-22(19)9-11-24(12-10-22)15-17-7-5-4-6-8-17/h4-8,13,21H,9-12,14-16H2,1-3H3
InChIKeyFKYCTFBWCJNXIZ-UHFFFAOYSA-N
XLogP3.85
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-N,N-dimethylmethanamine (CID 25164480) is 1-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-N,N-dimethylmethanamine is COC1Cc2sc(CN(C)C)cc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 1-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-N,N-dimethylmethanamine?
The InChIKey is FKYCTFBWCJNXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-23(2)16-18-13-19-20(27-18)14-21(25-3)26-22(19)9-11-24(12-10-22)15-17-7-5-4-6-8-17/h4-8,13,21H,9-12,14-16H2,1-3H3.
What are the key properties of 1-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-N,N-dimethylmethanamine?
1-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-N,N-dimethylmethanamine has a molecular weight of 386.56 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 25164480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).