6-methyl-3-(4-methylpiperidin-1-yl)thiochromen-4-one

C16H19NOS — CID 7552700

IUPAC6-methyl-3-(4-methylpiperidin-1-yl)thiochromen-4-one
SMILESCc1ccc2scc(N3CCC(C)CC3)c(=O)c2c1
InChIInChI=1S/C16H19NOS/c1-11-5-7-17(8-6-11)14-10-19-15-4-3-12(2)9-13(15)16(14)18/h3-4,9-11H,5-8H2,1-2H3
InChIKeyNGYFSHWGFRKXIT-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.81
Rot. Bonds1

About 6-methyl-3-(4-methylpiperidin-1-yl)thiochromen-4-one

6-methyl-3-(4-methylpiperidin-1-yl)thiochromen-4-one (PubChem CID 7552700) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 6-methyl-3-(4-methylpiperidin-1-yl)thiochromen-4-one.

Molecular Properties

Compound Name6-methyl-3-(4-methylpiperidin-1-yl)thiochromen-4-one
PubChem CID7552700
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name6-methyl-3-(4-methylpiperidin-1-yl)thiochromen-4-one
SMILESCc1ccc2scc(N3CCC(C)CC3)c(=O)c2c1
InChIInChI=1S/C16H19NOS/c1-11-5-7-17(8-6-11)14-10-19-15-4-3-12(2)9-13(15)16(14)18/h3-4,9-11H,5-8H2,1-2H3
InChIKeyNGYFSHWGFRKXIT-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-methylpiperidin-1-yl)thiochromen-4-one?
The IUPAC name of 6-methyl-3-(4-methylpiperidin-1-yl)thiochromen-4-one (CID 7552700) is 6-methyl-3-(4-methylpiperidin-1-yl)thiochromen-4-one.
What is the SMILES notation for 6-methyl-3-(4-methylpiperidin-1-yl)thiochromen-4-one?
The canonical SMILES for 6-methyl-3-(4-methylpiperidin-1-yl)thiochromen-4-one is Cc1ccc2scc(N3CCC(C)CC3)c(=O)c2c1.
What is the InChIKey of 6-methyl-3-(4-methylpiperidin-1-yl)thiochromen-4-one?
The InChIKey is NGYFSHWGFRKXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-11-5-7-17(8-6-11)14-10-19-15-4-3-12(2)9-13(15)16(14)18/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 6-methyl-3-(4-methylpiperidin-1-yl)thiochromen-4-one?
6-methyl-3-(4-methylpiperidin-1-yl)thiochromen-4-one has a molecular weight of 273.40 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-methylpiperidin-1-yl)thiochromen-4-one is sourced from PubChem (CID 7552700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).