6-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one

C12H15FN2O2S — CID 80758155

IUPAC6-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCN(C)CCSc1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C12H15FN2O2S/c1-15(2)3-4-18-10-6-9-7(5-8(10)13)11(16)12(17)14-9/h5-6,11,16H,3-4H2,1-2H3,(H,14,17)
InChIKeyYLRQDMCEYJSHQN-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.46
Rot. Bonds4

About 6-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one

6-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 80758155) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID80758155
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name6-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCN(C)CCSc1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C12H15FN2O2S/c1-15(2)3-4-18-10-6-9-7(5-8(10)13)11(16)12(17)14-9/h5-6,11,16H,3-4H2,1-2H3,(H,14,17)
InChIKeyYLRQDMCEYJSHQN-UHFFFAOYSA-N
XLogP1.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 80758155) is 6-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is CN(C)CCSc1cc2c(cc1F)C(O)C(=O)N2.
What is the InChIKey of 6-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is YLRQDMCEYJSHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-15(2)3-4-18-10-6-9-7(5-8(10)13)11(16)12(17)14-9/h5-6,11,16H,3-4H2,1-2H3,(H,14,17).
What are the key properties of 6-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
6-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 270.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 80758155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).