6-methoxy-2-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine

C11H15NO2S — CID 61289497

IUPAC6-methoxy-2-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCOc1ccc2c(c1)C(N)CC(C)S2=O
InChIInChI=1S/C11H15NO2S/c1-7-5-10(12)9-6-8(14-2)3-4-11(9)15(7)13/h3-4,6-7,10H,5,12H2,1-2H3
InChIKeyLKYRLFXXOJTRNC-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.59
Rot. Bonds1

About 6-methoxy-2-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine

6-methoxy-2-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61289497) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 6-methoxy-2-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61289497
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name6-methoxy-2-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
SMILESCOc1ccc2c(c1)C(N)CC(C)S2=O
InChIInChI=1S/C11H15NO2S/c1-7-5-10(12)9-6-8(14-2)3-4-11(9)15(7)13/h3-4,6-7,10H,5,12H2,1-2H3
InChIKeyLKYRLFXXOJTRNC-UHFFFAOYSA-N
XLogP1.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-methoxy-2-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine (CID 61289497) is 6-methoxy-2-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine is COc1ccc2c(c1)C(N)CC(C)S2=O.
What is the InChIKey of 6-methoxy-2-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is LKYRLFXXOJTRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-5-10(12)9-6-8(14-2)3-4-11(9)15(7)13/h3-4,6-7,10H,5,12H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine?
6-methoxy-2-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 225.31 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61289497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).