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

C20H26N2OS — CID 70279885

IUPAC2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanamine
SMILESNCCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C20H26N2OS/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,6,8-12,14-15,21H2
InChIKeyRYSAARXRERVQJC-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.53
Rot. Bonds4

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

2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanamine (PubChem CID 70279885) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanamine.

Molecular Properties

Compound Name2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanamine
PubChem CID70279885
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanamine
SMILESNCCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C20H26N2OS/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,6,8-12,14-15,21H2
InChIKeyRYSAARXRERVQJC-UHFFFAOYSA-N
XLogP3.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanamine?
The IUPAC name of 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanamine (CID 70279885) is 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanamine.
What is the SMILES notation for 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanamine?
The canonical SMILES for 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanamine is NCCC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanamine?
The InChIKey is RYSAARXRERVQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/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,6,8-12,14-15,21H2.
What are the key properties of 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanamine?
2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)ethanamine has a molecular weight of 342.51 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 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)ethanamine is sourced from PubChem (CID 70279885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).