1-methyl-6-methylsulfonylindole

C10H11NO2S — CID 67305770

IUPAC1-methyl-6-methylsulfonylindole
SMILESCn1ccc2ccc(S(C)(=O)=O)cc21
InChIInChI=1S/C10H11NO2S/c1-11-6-5-8-3-4-9(7-10(8)11)14(2,12)13/h3-7H,1-2H3
InChIKeyINASBJSMQNWTJW-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.58
Rot. Bonds1

About 1-methyl-6-methylsulfonylindole

1-methyl-6-methylsulfonylindole (PubChem CID 67305770) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-methyl-6-methylsulfonylindole.

Molecular Properties

Compound Name1-methyl-6-methylsulfonylindole
PubChem CID67305770
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name1-methyl-6-methylsulfonylindole
SMILESCn1ccc2ccc(S(C)(=O)=O)cc21
InChIInChI=1S/C10H11NO2S/c1-11-6-5-8-3-4-9(7-10(8)11)14(2,12)13/h3-7H,1-2H3
InChIKeyINASBJSMQNWTJW-UHFFFAOYSA-N
XLogP1.58
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylsulfonylindole?
The IUPAC name of 1-methyl-6-methylsulfonylindole (CID 67305770) is 1-methyl-6-methylsulfonylindole.
What is the SMILES notation for 1-methyl-6-methylsulfonylindole?
The canonical SMILES for 1-methyl-6-methylsulfonylindole is Cn1ccc2ccc(S(C)(=O)=O)cc21.
What is the InChIKey of 1-methyl-6-methylsulfonylindole?
The InChIKey is INASBJSMQNWTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-11-6-5-8-3-4-9(7-10(8)11)14(2,12)13/h3-7H,1-2H3.
What are the key properties of 1-methyl-6-methylsulfonylindole?
1-methyl-6-methylsulfonylindole has a molecular weight of 209.27 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylsulfonylindole is sourced from PubChem (CID 67305770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).