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

C21H28N2OS — CID 25164276

IUPAC1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C21H28N2OS/c1-22(2)16-18-14-20-19(8-13-25-20)21(24-18)9-11-23(12-10-21)15-17-6-4-3-5-7-17/h3-8,13,18H,9-12,14-16H2,1-2H3
InChIKeyMEQYKNCRJCYDDT-UHFFFAOYSA-N
MW356.54 g/mol
LogP3.74
Rot. Bonds4

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

1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine (PubChem CID 25164276) has the molecular formula C21H28N2OS and a molecular weight of 356.54 g/mol. Its IUPAC name is 1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine
PubChem CID25164276
Molecular FormulaC21H28N2OS
Molecular Weight356.54 g/mol
Exact Mass356.19
IUPAC Name1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C21H28N2OS/c1-22(2)16-18-14-20-19(8-13-25-20)21(24-18)9-11-23(12-10-21)15-17-6-4-3-5-7-17/h3-8,13,18H,9-12,14-16H2,1-2H3
InChIKeyMEQYKNCRJCYDDT-UHFFFAOYSA-N
XLogP3.74
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine (CID 25164276) is 1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine is CN(C)CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine?
The InChIKey is MEQYKNCRJCYDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OS/c1-22(2)16-18-14-20-19(8-13-25-20)21(24-18)9-11-23(12-10-21)15-17-6-4-3-5-7-17/h3-8,13,18H,9-12,14-16H2,1-2H3.
What are the key properties of 1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine?
1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine has a molecular weight of 356.54 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 25164276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).