3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one

C12H15NO3S — CID 66138000

IUPAC3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESCC(CCO)Sc1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C12H15NO3S/c1-7(4-5-14)17-8-2-3-9-10(6-8)13-12(16)11(9)15/h2-3,6-7,11,14-15H,4-5H2,1H3,(H,13,16)
InChIKeyKUTLCNYRWGGKEH-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.54
Rot. Bonds4

About 3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one

3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 66138000) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID66138000
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESCC(CCO)Sc1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C12H15NO3S/c1-7(4-5-14)17-8-2-3-9-10(6-8)13-12(16)11(9)15/h2-3,6-7,11,14-15H,4-5H2,1H3,(H,13,16)
InChIKeyKUTLCNYRWGGKEH-UHFFFAOYSA-N
XLogP1.54
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
6-butylsulfanyl-3-hydroxy-1,3-dihydroindol-2-one
CID 63835750
3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one
CID 55239839
6-(1-hydroxypropan-2-ylsulfanyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 116852559
3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
CID 63836044
3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 114001137
6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 55010245
3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one
CID 81204319
3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one
CID 112661697
3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one
CID 61361238

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one (CID 66138000) is 3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one is CC(CCO)Sc1ccc2c(c1)NC(=O)C2O.
What is the InChIKey of 3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is KUTLCNYRWGGKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-7(4-5-14)17-8-2-3-9-10(6-8)13-12(16)11(9)15/h2-3,6-7,11,14-15H,4-5H2,1H3,(H,13,16).
What are the key properties of 3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one?
3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 253.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 66138000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).