6-methyl-3-piperidin-1-ylthiochromen-4-one

C15H17NOS — CID 7552710

IUPAC6-methyl-3-piperidin-1-ylthiochromen-4-one
SMILESCc1ccc2scc(N3CCCCC3)c(=O)c2c1
InChIInChI=1S/C15H17NOS/c1-11-5-6-14-12(9-11)15(17)13(10-18-14)16-7-3-2-4-8-16/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyPKUPCFDVXJVZFE-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.56
Rot. Bonds1

About 6-methyl-3-piperidin-1-ylthiochromen-4-one

6-methyl-3-piperidin-1-ylthiochromen-4-one (PubChem CID 7552710) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 6-methyl-3-piperidin-1-ylthiochromen-4-one.

Molecular Properties

Compound Name6-methyl-3-piperidin-1-ylthiochromen-4-one
PubChem CID7552710
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name6-methyl-3-piperidin-1-ylthiochromen-4-one
SMILESCc1ccc2scc(N3CCCCC3)c(=O)c2c1
InChIInChI=1S/C15H17NOS/c1-11-5-6-14-12(9-11)15(17)13(10-18-14)16-7-3-2-4-8-16/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyPKUPCFDVXJVZFE-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-piperidin-1-ylthiochromen-4-one?
The IUPAC name of 6-methyl-3-piperidin-1-ylthiochromen-4-one (CID 7552710) is 6-methyl-3-piperidin-1-ylthiochromen-4-one.
What is the SMILES notation for 6-methyl-3-piperidin-1-ylthiochromen-4-one?
The canonical SMILES for 6-methyl-3-piperidin-1-ylthiochromen-4-one is Cc1ccc2scc(N3CCCCC3)c(=O)c2c1.
What is the InChIKey of 6-methyl-3-piperidin-1-ylthiochromen-4-one?
The InChIKey is PKUPCFDVXJVZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-5-6-14-12(9-11)15(17)13(10-18-14)16-7-3-2-4-8-16/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 6-methyl-3-piperidin-1-ylthiochromen-4-one?
6-methyl-3-piperidin-1-ylthiochromen-4-one has a molecular weight of 259.37 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-piperidin-1-ylthiochromen-4-one is sourced from PubChem (CID 7552710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).