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

C11H13NO4S2 — CID 55239839

IUPAC3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one
SMILESCS(=O)(=O)CCSc1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C11H13NO4S2/c1-18(15,16)5-4-17-7-2-3-8-9(6-7)12-11(14)10(8)13/h2-3,6,10,13H,4-5H2,1H3,(H,12,14)
InChIKeyQBJAWCXVMGOCRC-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.81
Rot. Bonds4

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

3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 55239839) has the molecular formula C11H13NO4S2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID55239839
Molecular FormulaC11H13NO4S2
Molecular Weight287.36 g/mol
Exact Mass287.03
IUPAC Name3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one
SMILESCS(=O)(=O)CCSc1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C11H13NO4S2/c1-18(15,16)5-4-17-7-2-3-8-9(6-7)12-11(14)10(8)13/h2-3,6,10,13H,4-5H2,1H3,(H,12,14)
InChIKeyQBJAWCXVMGOCRC-UHFFFAOYSA-N
XLogP0.81
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-butylsulfanyl-3-hydroxy-1,3-dihydroindol-2-one
CID 63835750
3-(ethylamino)-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one
CID 63658122
3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
CID 63814020
3-hydroxy-6-(2-methylbutylsulfanyl)-1,3-dihydroindol-2-one
CID 107762167
6-(2,3-dihydroxypropylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79670282
3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 66138000
3-amino-6-(3-hydroxypropylsulfanyl)-1,3-dihydroindol-2-one
CID 66114529
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
CID 63836210
3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
CID 63836044
1-[3-(2-methylsulfonylethylsulfanyl)phenyl]ethanone
CID 64662700
3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 114001137
3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one
CID 112661697

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one (CID 55239839) is 3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one is CS(=O)(=O)CCSc1ccc2c(c1)NC(=O)C2O.
What is the InChIKey of 3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is QBJAWCXVMGOCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S2/c1-18(15,16)5-4-17-7-2-3-8-9(6-7)12-11(14)10(8)13/h2-3,6,10,13H,4-5H2,1H3,(H,12,14).
What are the key properties of 3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one?
3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 287.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 55239839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).