2-methyl-1-methylsulfonyl-2,3-dihydroindole

C10H13NO2S — CID 3750783

IUPAC2-methyl-1-methylsulfonyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(C)(=O)=O
InChIInChI=1S/C10H13NO2S/c1-8-7-9-5-3-4-6-10(9)11(8)14(2,12)13/h3-6,8H,7H2,1-2H3
InChIKeyINAAAWAHHXNOPL-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.40
Rot. Bonds1

About 2-methyl-1-methylsulfonyl-2,3-dihydroindole

2-methyl-1-methylsulfonyl-2,3-dihydroindole (PubChem CID 3750783) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-methylsulfonyl-2,3-dihydroindole
PubChem CID3750783
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-methyl-1-methylsulfonyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(C)(=O)=O
InChIInChI=1S/C10H13NO2S/c1-8-7-9-5-3-4-6-10(9)11(8)14(2,12)13/h3-6,8H,7H2,1-2H3
InChIKeyINAAAWAHHXNOPL-UHFFFAOYSA-N
XLogP1.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonyl-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-methylsulfonyl-2,3-dihydroindole (CID 3750783) is 2-methyl-1-methylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-methylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-methylsulfonyl-2,3-dihydroindole is CC1Cc2ccccc2N1S(C)(=O)=O.
What is the InChIKey of 2-methyl-1-methylsulfonyl-2,3-dihydroindole?
The InChIKey is INAAAWAHHXNOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-8-7-9-5-3-4-6-10(9)11(8)14(2,12)13/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-methyl-1-methylsulfonyl-2,3-dihydroindole?
2-methyl-1-methylsulfonyl-2,3-dihydroindole has a molecular weight of 211.29 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 3750783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).