1,3-diethyl-3-methylsulfanylindol-2-one

C13H17NOS — CID 170423033

IUPAC1,3-diethyl-3-methylsulfanylindol-2-one
SMILESCCN1C(=O)C(CC)(SC)c2ccccc21
InChIInChI=1S/C13H17NOS/c1-4-13(16-3)10-8-6-7-9-11(10)14(5-2)12(13)15/h6-9H,4-5H2,1-3H3
InChIKeyGVKLUKNHUPVHAO-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.02
Rot. Bonds3

About 1,3-diethyl-3-methylsulfanylindol-2-one

1,3-diethyl-3-methylsulfanylindol-2-one (PubChem CID 170423033) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 1,3-diethyl-3-methylsulfanylindol-2-one.

Molecular Properties

Compound Name1,3-diethyl-3-methylsulfanylindol-2-one
PubChem CID170423033
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name1,3-diethyl-3-methylsulfanylindol-2-one
SMILESCCN1C(=O)C(CC)(SC)c2ccccc21
InChIInChI=1S/C13H17NOS/c1-4-13(16-3)10-8-6-7-9-11(10)14(5-2)12(13)15/h6-9H,4-5H2,1-3H3
InChIKeyGVKLUKNHUPVHAO-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-diethyl-3-methylsulfanylindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-3-methylsulfanylindol-2-one?
The IUPAC name of 1,3-diethyl-3-methylsulfanylindol-2-one (CID 170423033) is 1,3-diethyl-3-methylsulfanylindol-2-one.
What is the SMILES notation for 1,3-diethyl-3-methylsulfanylindol-2-one?
The canonical SMILES for 1,3-diethyl-3-methylsulfanylindol-2-one is CCN1C(=O)C(CC)(SC)c2ccccc21.
What is the InChIKey of 1,3-diethyl-3-methylsulfanylindol-2-one?
The InChIKey is GVKLUKNHUPVHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-4-13(16-3)10-8-6-7-9-11(10)14(5-2)12(13)15/h6-9H,4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-3-methylsulfanylindol-2-one?
1,3-diethyl-3-methylsulfanylindol-2-one has a molecular weight of 235.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-3-methylsulfanylindol-2-one is sourced from PubChem (CID 170423033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).