3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-2-one

C14H19NO2S — CID 107762239

IUPAC3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-2-one
SMILESCC(C)CCSc1ccc2c(c1)N(C)C(=O)C2O
InChIInChI=1S/C14H19NO2S/c1-9(2)6-7-18-10-4-5-11-12(8-10)15(3)14(17)13(11)16/h4-5,8-9,13,16H,6-7H2,1-3H3
InChIKeyMBVUMTSXVYRRAU-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.83
Rot. Bonds4

About 3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-2-one

3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-2-one (PubChem CID 107762239) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-2-one
PubChem CID107762239
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-2-one
SMILESCC(C)CCSc1ccc2c(c1)N(C)C(=O)C2O
InChIInChI=1S/C14H19NO2S/c1-9(2)6-7-18-10-4-5-11-12(8-10)15(3)14(17)13(11)16/h4-5,8-9,13,16H,6-7H2,1-3H3
InChIKeyMBVUMTSXVYRRAU-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-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 3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-2-one (CID 107762239) is 3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-2-one is CC(C)CCSc1ccc2c(c1)N(C)C(=O)C2O.
What is the InChIKey of 3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-2-one?
The InChIKey is MBVUMTSXVYRRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-9(2)6-7-18-10-4-5-11-12(8-10)15(3)14(17)13(11)16/h4-5,8-9,13,16H,6-7H2,1-3H3.
What are the key properties of 3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-2-one?
3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-2-one has a molecular weight of 265.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-6-(3-methylbutylsulfanyl)-3H-indol-2-one is sourced from PubChem (CID 107762239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).