2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine

C15H22N2O2S — CID 106720970

IUPAC2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine
SMILESCCCS(=O)(=O)CCn1ccc2ccc(CCN)cc21
InChIInChI=1S/C15H22N2O2S/c1-2-10-20(18,19)11-9-17-8-6-14-4-3-13(5-7-16)12-15(14)17/h3-4,6,8,12H,2,5,7,9-11,16H2,1H3
InChIKeyXZYNMSFXCTVRID-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.97
Rot. Bonds7

About 2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine

2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine (PubChem CID 106720970) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine
PubChem CID106720970
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine
SMILESCCCS(=O)(=O)CCn1ccc2ccc(CCN)cc21
InChIInChI=1S/C15H22N2O2S/c1-2-10-20(18,19)11-9-17-8-6-14-4-3-13(5-7-16)12-15(14)17/h3-4,6,8,12H,2,5,7,9-11,16H2,1H3
InChIKeyXZYNMSFXCTVRID-UHFFFAOYSA-N
XLogP1.97
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine?
The IUPAC name of 2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine (CID 106720970) is 2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine?
The canonical SMILES for 2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine is CCCS(=O)(=O)CCn1ccc2ccc(CCN)cc21.
What is the InChIKey of 2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine?
The InChIKey is XZYNMSFXCTVRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-10-20(18,19)11-9-17-8-6-14-4-3-13(5-7-16)12-15(14)17/h3-4,6,8,12H,2,5,7,9-11,16H2,1H3.
What are the key properties of 2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine?
2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine has a molecular weight of 294.42 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine is sourced from PubChem (CID 106720970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).