2-(2,3-dihydroindol-1-ylsulfonyl)ethanamine

C10H14N2O2S — CID 22692395

IUPAC2-(2,3-dihydroindol-1-ylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C10H14N2O2S/c11-6-8-15(13,14)12-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8,11H2
InChIKeyKVLJXXDJLJDTCT-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.34
Rot. Bonds3

About 2-(2,3-dihydroindol-1-ylsulfonyl)ethanamine

2-(2,3-dihydroindol-1-ylsulfonyl)ethanamine (PubChem CID 22692395) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-ylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-ylsulfonyl)ethanamine
PubChem CID22692395
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(2,3-dihydroindol-1-ylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C10H14N2O2S/c11-6-8-15(13,14)12-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8,11H2
InChIKeyKVLJXXDJLJDTCT-UHFFFAOYSA-N
XLogP0.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-ylsulfonyl)ethanamine?
The IUPAC name of 2-(2,3-dihydroindol-1-ylsulfonyl)ethanamine (CID 22692395) is 2-(2,3-dihydroindol-1-ylsulfonyl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydroindol-1-ylsulfonyl)ethanamine?
The canonical SMILES for 2-(2,3-dihydroindol-1-ylsulfonyl)ethanamine is NCCS(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-ylsulfonyl)ethanamine?
The InChIKey is KVLJXXDJLJDTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-6-8-15(13,14)12-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8,11H2.
What are the key properties of 2-(2,3-dihydroindol-1-ylsulfonyl)ethanamine?
2-(2,3-dihydroindol-1-ylsulfonyl)ethanamine has a molecular weight of 226.30 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-ylsulfonyl)ethanamine is sourced from PubChem (CID 22692395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).