(3S)-3-hydroxy-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one

C15H13NO3S — CID 713188

IUPAC(3S)-3-hydroxy-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
SMILESCc1ccc2c(c1)[C@@](O)(CC(=O)c1cccs1)C(=O)N2
InChIInChI=1S/C15H13NO3S/c1-9-4-5-11-10(7-9)15(19,14(18)16-11)8-12(17)13-3-2-6-20-13/h2-7,19H,8H2,1H3,(H,16,18)/t15-/m0/s1
InChIKeyRKKUGFZDUSDMGU-HNNXBMFYSA-N
MW287.34 g/mol
LogP2.47
Rot. Bonds3

About (3S)-3-hydroxy-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one

(3S)-3-hydroxy-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one (PubChem CID 713188) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is (3S)-3-hydroxy-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
PubChem CID713188
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name(3S)-3-hydroxy-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
SMILESCc1ccc2c(c1)[C@@](O)(CC(=O)c1cccs1)C(=O)N2
InChIInChI=1S/C15H13NO3S/c1-9-4-5-11-10(7-9)15(19,14(18)16-11)8-12(17)13-3-2-6-20-13/h2-7,19H,8H2,1H3,(H,16,18)/t15-/m0/s1
InChIKeyRKKUGFZDUSDMGU-HNNXBMFYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one?
The IUPAC name of (3S)-3-hydroxy-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one (CID 713188) is (3S)-3-hydroxy-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one is Cc1ccc2c(c1)[C@@](O)(CC(=O)c1cccs1)C(=O)N2.
What is the InChIKey of (3S)-3-hydroxy-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one?
The InChIKey is RKKUGFZDUSDMGU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-9-4-5-11-10(7-9)15(19,14(18)16-11)8-12(17)13-3-2-6-20-13/h2-7,19H,8H2,1H3,(H,16,18)/t15-/m0/s1.
What are the key properties of (3S)-3-hydroxy-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one?
(3S)-3-hydroxy-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one has a molecular weight of 287.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one is sourced from PubChem (CID 713188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).