6-methyl-3-morpholin-4-ylthiochromen-4-one

C14H15NO2S — CID 7552709

IUPAC6-methyl-3-morpholin-4-ylthiochromen-4-one
SMILESCc1ccc2scc(N3CCOCC3)c(=O)c2c1
InChIInChI=1S/C14H15NO2S/c1-10-2-3-13-11(8-10)14(16)12(9-18-13)15-4-6-17-7-5-15/h2-3,8-9H,4-7H2,1H3
InChIKeyWWTDHVYGKDUARU-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.41
Rot. Bonds1

About 6-methyl-3-morpholin-4-ylthiochromen-4-one

6-methyl-3-morpholin-4-ylthiochromen-4-one (PubChem CID 7552709) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 6-methyl-3-morpholin-4-ylthiochromen-4-one.

Molecular Properties

Compound Name6-methyl-3-morpholin-4-ylthiochromen-4-one
PubChem CID7552709
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name6-methyl-3-morpholin-4-ylthiochromen-4-one
SMILESCc1ccc2scc(N3CCOCC3)c(=O)c2c1
InChIInChI=1S/C14H15NO2S/c1-10-2-3-13-11(8-10)14(16)12(9-18-13)15-4-6-17-7-5-15/h2-3,8-9H,4-7H2,1H3
InChIKeyWWTDHVYGKDUARU-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-morpholin-4-ylthiochromen-4-one?
The IUPAC name of 6-methyl-3-morpholin-4-ylthiochromen-4-one (CID 7552709) is 6-methyl-3-morpholin-4-ylthiochromen-4-one.
What is the SMILES notation for 6-methyl-3-morpholin-4-ylthiochromen-4-one?
The canonical SMILES for 6-methyl-3-morpholin-4-ylthiochromen-4-one is Cc1ccc2scc(N3CCOCC3)c(=O)c2c1.
What is the InChIKey of 6-methyl-3-morpholin-4-ylthiochromen-4-one?
The InChIKey is WWTDHVYGKDUARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10-2-3-13-11(8-10)14(16)12(9-18-13)15-4-6-17-7-5-15/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 6-methyl-3-morpholin-4-ylthiochromen-4-one?
6-methyl-3-morpholin-4-ylthiochromen-4-one has a molecular weight of 261.35 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-morpholin-4-ylthiochromen-4-one is sourced from PubChem (CID 7552709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).