1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid

C18H20N2O3S — CID 164691073

IUPAC1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
SMILESCc1cccc(N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)n1
InChIInChI=1S/C18H20N2O3S/c1-12-3-2-4-16(19-12)20-8-6-18(7-9-20)13-11-15(17(21)22)24-14(13)5-10-23-18/h2-4,11H,5-10H2,1H3,(H,21,22)
InChIKeyJYWQMCHJUCTYFR-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.22
Rot. Bonds2

About 1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid

1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid (PubChem CID 164691073) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid.

Molecular Properties

Compound Name1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
PubChem CID164691073
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
SMILESCc1cccc(N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)n1
InChIInChI=1S/C18H20N2O3S/c1-12-3-2-4-16(19-12)20-8-6-18(7-9-20)13-11-15(17(21)22)24-14(13)5-10-23-18/h2-4,11H,5-10H2,1H3,(H,21,22)
InChIKeyJYWQMCHJUCTYFR-UHFFFAOYSA-N
XLogP3.22
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid?
The IUPAC name of 1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid (CID 164691073) is 1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid.
What is the SMILES notation for 1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid?
The canonical SMILES for 1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid is Cc1cccc(N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)n1.
What is the InChIKey of 1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid?
The InChIKey is JYWQMCHJUCTYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-3-2-4-16(19-12)20-8-6-18(7-9-20)13-11-15(17(21)22)24-14(13)5-10-23-18/h2-4,11H,5-10H2,1H3,(H,21,22).
What are the key properties of 1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid?
1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid has a molecular weight of 344.44 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-methyl-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid is sourced from PubChem (CID 164691073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).