7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one

C10H11NOS — CID 11790058

IUPAC7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2c(C)cccc21
InChIInChI=1S/C10H11NOS/c1-6-4-3-5-7-8(6)11-10(12)9(7)13-2/h3-5,9H,1-2H3,(H,11,12)
InChIKeyFEMQSVOFUSJKCD-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.35
Rot. Bonds1

About 7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one

7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 11790058) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
PubChem CID11790058
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2c(C)cccc21
InChIInChI=1S/C10H11NOS/c1-6-4-3-5-7-8(6)11-10(12)9(7)13-2/h3-5,9H,1-2H3,(H,11,12)
InChIKeyFEMQSVOFUSJKCD-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one (CID 11790058) is 7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one is CSC1C(=O)Nc2c(C)cccc21.
What is the InChIKey of 7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is FEMQSVOFUSJKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-6-4-3-5-7-8(6)11-10(12)9(7)13-2/h3-5,9H,1-2H3,(H,11,12).
What are the key properties of 7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one?
7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 193.27 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 11790058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).