3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one

C16H16N2O2S — CID 63647488

IUPAC3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3ccccc3SC)ccc21
InChIInChI=1S/C16H16N2O2S/c1-17-15-11-8-7-10(9-12(11)18-16(15)19)20-13-5-3-4-6-14(13)21-2/h3-9,15,17H,1-2H3,(H,18,19)
InChIKeyKOOWGOHMJDFYTG-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.41
Rot. Bonds4

About 3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one

3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one (PubChem CID 63647488) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one
PubChem CID63647488
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Oc3ccccc3SC)ccc21
InChIInChI=1S/C16H16N2O2S/c1-17-15-11-8-7-10(9-12(11)18-16(15)19)20-13-5-3-4-6-14(13)21-2/h3-9,15,17H,1-2H3,(H,18,19)
InChIKeyKOOWGOHMJDFYTG-UHFFFAOYSA-N
XLogP3.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one (CID 63647488) is 3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Oc3ccccc3SC)ccc21.
What is the InChIKey of 3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one?
The InChIKey is KOOWGOHMJDFYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-17-15-11-8-7-10(9-12(11)18-16(15)19)20-13-5-3-4-6-14(13)21-2/h3-9,15,17H,1-2H3,(H,18,19).
What are the key properties of 3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one?
3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one has a molecular weight of 300.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63647488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).