6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one

C15H14N2O2S — CID 102926211

IUPAC6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCc1cc(C)nc(Sc2ccc3c(c2)NC(=O)C3O)c1
InChIInChI=1S/C15H14N2O2S/c1-8-5-9(2)16-13(6-8)20-10-3-4-11-12(7-10)17-15(19)14(11)18/h3-7,14,18H,1-2H3,(H,17,19)
InChIKeyLEBRGQYXJWYCOC-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.84
Rot. Bonds2

About 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one

6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 102926211) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID102926211
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCc1cc(C)nc(Sc2ccc3c(c2)NC(=O)C3O)c1
InChIInChI=1S/C15H14N2O2S/c1-8-5-9(2)16-13(6-8)20-10-3-4-11-12(7-10)17-15(19)14(11)18/h3-7,14,18H,1-2H3,(H,17,19)
InChIKeyLEBRGQYXJWYCOC-UHFFFAOYSA-N
XLogP2.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one (CID 102926211) is 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one is Cc1cc(C)nc(Sc2ccc3c(c2)NC(=O)C3O)c1.
What is the InChIKey of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is LEBRGQYXJWYCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-8-5-9(2)16-13(6-8)20-10-3-4-11-12(7-10)17-15(19)14(11)18/h3-7,14,18H,1-2H3,(H,17,19).
What are the key properties of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 286.36 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 102926211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).