3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one

C15H19NO2S — CID 63836044

IUPAC3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
SMILESCC1CCCC(Sc2ccc3c(c2)NC(=O)C3O)C1
InChIInChI=1S/C15H19NO2S/c1-9-3-2-4-10(7-9)19-11-5-6-12-13(8-11)16-15(18)14(12)17/h5-6,8-10,14,17H,2-4,7H2,1H3,(H,16,18)
InChIKeyBWIPOZGZWPHOOL-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.34
Rot. Bonds2

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

3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 63836044) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID63836044
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
SMILESCC1CCCC(Sc2ccc3c(c2)NC(=O)C3O)C1
InChIInChI=1S/C15H19NO2S/c1-9-3-2-4-10(7-9)19-11-5-6-12-13(8-11)16-15(18)14(12)17/h5-6,8-10,14,17H,2-4,7H2,1H3,(H,16,18)
InChIKeyBWIPOZGZWPHOOL-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one (CID 63836044) is 3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one is CC1CCCC(Sc2ccc3c(c2)NC(=O)C3O)C1.
What is the InChIKey of 3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is BWIPOZGZWPHOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-9-3-2-4-10(7-9)19-11-5-6-12-13(8-11)16-15(18)14(12)17/h5-6,8-10,14,17H,2-4,7H2,1H3,(H,16,18).
What are the key properties of 3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one?
3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 277.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 63836044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).