1-ethenylsulfonyl-6-methyl-2,3-dihydroindole

C11H13NO2S — CID 143511464

IUPAC1-ethenylsulfonyl-6-methyl-2,3-dihydroindole
SMILESC=CS(=O)(=O)N1CCc2ccc(C)cc21
InChIInChI=1S/C11H13NO2S/c1-3-15(13,14)12-7-6-10-5-4-9(2)8-11(10)12/h3-5,8H,1,6-7H2,2H3
InChIKeyQAHLJGQIXLPZKS-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.83
Rot. Bonds2

About 1-ethenylsulfonyl-6-methyl-2,3-dihydroindole

1-ethenylsulfonyl-6-methyl-2,3-dihydroindole (PubChem CID 143511464) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-ethenylsulfonyl-6-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-ethenylsulfonyl-6-methyl-2,3-dihydroindole
PubChem CID143511464
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name1-ethenylsulfonyl-6-methyl-2,3-dihydroindole
SMILESC=CS(=O)(=O)N1CCc2ccc(C)cc21
InChIInChI=1S/C11H13NO2S/c1-3-15(13,14)12-7-6-10-5-4-9(2)8-11(10)12/h3-5,8H,1,6-7H2,2H3
InChIKeyQAHLJGQIXLPZKS-UHFFFAOYSA-N
XLogP1.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-6-methyl-2,3-dihydroindole?
The IUPAC name of 1-ethenylsulfonyl-6-methyl-2,3-dihydroindole (CID 143511464) is 1-ethenylsulfonyl-6-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-ethenylsulfonyl-6-methyl-2,3-dihydroindole?
The canonical SMILES for 1-ethenylsulfonyl-6-methyl-2,3-dihydroindole is C=CS(=O)(=O)N1CCc2ccc(C)cc21.
What is the InChIKey of 1-ethenylsulfonyl-6-methyl-2,3-dihydroindole?
The InChIKey is QAHLJGQIXLPZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-3-15(13,14)12-7-6-10-5-4-9(2)8-11(10)12/h3-5,8H,1,6-7H2,2H3.
What are the key properties of 1-ethenylsulfonyl-6-methyl-2,3-dihydroindole?
1-ethenylsulfonyl-6-methyl-2,3-dihydroindole has a molecular weight of 223.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-6-methyl-2,3-dihydroindole is sourced from PubChem (CID 143511464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).