2-(1-ethylsulfonylindol-3-yl)ethanamine

C12H16N2O2S — CID 82481545

IUPAC2-(1-ethylsulfonylindol-3-yl)ethanamine
SMILESCCS(=O)(=O)n1cc(CCN)c2ccccc21
InChIInChI=1S/C12H16N2O2S/c1-2-17(15,16)14-9-10(7-8-13)11-5-3-4-6-12(11)14/h3-6,9H,2,7-8,13H2,1H3
InChIKeyZVBQKNWBQVWJPB-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.34
Rot. Bonds4

About 2-(1-ethylsulfonylindol-3-yl)ethanamine

2-(1-ethylsulfonylindol-3-yl)ethanamine (PubChem CID 82481545) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(1-ethylsulfonylindol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylsulfonylindol-3-yl)ethanamine
PubChem CID82481545
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-(1-ethylsulfonylindol-3-yl)ethanamine
SMILESCCS(=O)(=O)n1cc(CCN)c2ccccc21
InChIInChI=1S/C12H16N2O2S/c1-2-17(15,16)14-9-10(7-8-13)11-5-3-4-6-12(11)14/h3-6,9H,2,7-8,13H2,1H3
InChIKeyZVBQKNWBQVWJPB-UHFFFAOYSA-N
XLogP1.34
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylindol-3-yl)ethanamine?
The IUPAC name of 2-(1-ethylsulfonylindol-3-yl)ethanamine (CID 82481545) is 2-(1-ethylsulfonylindol-3-yl)ethanamine.
What is the SMILES notation for 2-(1-ethylsulfonylindol-3-yl)ethanamine?
The canonical SMILES for 2-(1-ethylsulfonylindol-3-yl)ethanamine is CCS(=O)(=O)n1cc(CCN)c2ccccc21.
What is the InChIKey of 2-(1-ethylsulfonylindol-3-yl)ethanamine?
The InChIKey is ZVBQKNWBQVWJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-17(15,16)14-9-10(7-8-13)11-5-3-4-6-12(11)14/h3-6,9H,2,7-8,13H2,1H3.
What are the key properties of 2-(1-ethylsulfonylindol-3-yl)ethanamine?
2-(1-ethylsulfonylindol-3-yl)ethanamine has a molecular weight of 252.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylindol-3-yl)ethanamine is sourced from PubChem (CID 82481545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).