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

C16H21NO2S — CID 81309164

IUPAC3-hydroxy-1-methyl-6-(3-methylcyclohexyl)sulfanyl-3H-indol-2-one
SMILESCC1CCCC(Sc2ccc3c(c2)N(C)C(=O)C3O)C1
InChIInChI=1S/C16H21NO2S/c1-10-4-3-5-11(8-10)20-12-6-7-13-14(9-12)17(2)16(19)15(13)18/h6-7,9-11,15,18H,3-5,8H2,1-2H3
InChIKeyQEXXLNRWRYILQR-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.37
Rot. Bonds2

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

3-hydroxy-1-methyl-6-(3-methylcyclohexyl)sulfanyl-3H-indol-2-one (PubChem CID 81309164) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-6-(3-methylcyclohexyl)sulfanyl-3H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-6-(3-methylcyclohexyl)sulfanyl-3H-indol-2-one
PubChem CID81309164
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name3-hydroxy-1-methyl-6-(3-methylcyclohexyl)sulfanyl-3H-indol-2-one
SMILESCC1CCCC(Sc2ccc3c(c2)N(C)C(=O)C3O)C1
InChIInChI=1S/C16H21NO2S/c1-10-4-3-5-11(8-10)20-12-6-7-13-14(9-12)17(2)16(19)15(13)18/h6-7,9-11,15,18H,3-5,8H2,1-2H3
InChIKeyQEXXLNRWRYILQR-UHFFFAOYSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-6-(3-methylcyclohexyl)sulfanyl-3H-indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-6-(3-methylcyclohexyl)sulfanyl-3H-indol-2-one (CID 81309164) is 3-hydroxy-1-methyl-6-(3-methylcyclohexyl)sulfanyl-3H-indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-6-(3-methylcyclohexyl)sulfanyl-3H-indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-6-(3-methylcyclohexyl)sulfanyl-3H-indol-2-one is CC1CCCC(Sc2ccc3c(c2)N(C)C(=O)C3O)C1.
What is the InChIKey of 3-hydroxy-1-methyl-6-(3-methylcyclohexyl)sulfanyl-3H-indol-2-one?
The InChIKey is QEXXLNRWRYILQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-10-4-3-5-11(8-10)20-12-6-7-13-14(9-12)17(2)16(19)15(13)18/h6-7,9-11,15,18H,3-5,8H2,1-2H3.
What are the key properties of 3-hydroxy-1-methyl-6-(3-methylcyclohexyl)sulfanyl-3H-indol-2-one?
3-hydroxy-1-methyl-6-(3-methylcyclohexyl)sulfanyl-3H-indol-2-one has a molecular weight of 291.42 g/mol, XLogP of 3.37, 2 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-methylcyclohexyl)sulfanyl-3H-indol-2-one is sourced from PubChem (CID 81309164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).