3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one

C12H15NO2S — CID 63814020

IUPAC3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
SMILESCC(C)CSc1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C12H15NO2S/c1-7(2)6-16-8-3-4-9-10(5-8)13-12(15)11(9)14/h3-5,7,11,14H,6H2,1-2H3,(H,13,15)
InChIKeyWOKSCIPCLNTYNS-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.42
Rot. Bonds3

About 3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one

3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 63814020) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID63814020
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
SMILESCC(C)CSc1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C12H15NO2S/c1-7(2)6-16-8-3-4-9-10(5-8)13-12(15)11(9)14/h3-5,7,11,14H,6H2,1-2H3,(H,13,15)
InChIKeyWOKSCIPCLNTYNS-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one (CID 63814020) is 3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one is CC(C)CSc1ccc2c(c1)NC(=O)C2O.
What is the InChIKey of 3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is WOKSCIPCLNTYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-7(2)6-16-8-3-4-9-10(5-8)13-12(15)11(9)14/h3-5,7,11,14H,6H2,1-2H3,(H,13,15).
What are the key properties of 3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one?
3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 237.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63814020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).