2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine

C11H16N2O2S — CID 63235698

IUPAC2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine
SMILESCS(=O)(=O)N1CC(CCN)c2ccccc21
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,9H,6-8,12H2,1H3
InChIKeyWJRSSTUVWJEMPC-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.90
Rot. Bonds3

About 2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine

2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine (PubChem CID 63235698) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine
PubChem CID63235698
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine
SMILESCS(=O)(=O)N1CC(CCN)c2ccccc21
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,9H,6-8,12H2,1H3
InChIKeyWJRSSTUVWJEMPC-UHFFFAOYSA-N
XLogP0.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine?
The IUPAC name of 2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine (CID 63235698) is 2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine.
What is the SMILES notation for 2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine?
The canonical SMILES for 2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine is CS(=O)(=O)N1CC(CCN)c2ccccc21.
What is the InChIKey of 2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine?
The InChIKey is WJRSSTUVWJEMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-16(14,15)13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,9H,6-8,12H2,1H3.
What are the key properties of 2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine?
2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine has a molecular weight of 240.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine is sourced from PubChem (CID 63235698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).