2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide

C20H20N2OS2 — CID 53494268

IUPAC2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide
SMILES[O-][N+](CCc1c[nH]c2ccccc12)(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C20H20N2OS2/c23-22(14-17-5-3-11-24-17,15-18-6-4-12-25-18)10-9-16-13-21-20-8-2-1-7-19(16)20/h1-8,11-13,21H,9-10,14-15H2
InChIKeyFZKCXWITNADZDZ-UHFFFAOYSA-N
MW368.53 g/mol
LogP5.55
Rot. Bonds7

About 2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide

2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide (PubChem CID 53494268) has the molecular formula C20H20N2OS2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide
PubChem CID53494268
Molecular FormulaC20H20N2OS2
Molecular Weight368.53 g/mol
Exact Mass368.10
IUPAC Name2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide
SMILES[O-][N+](CCc1c[nH]c2ccccc12)(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C20H20N2OS2/c23-22(14-17-5-3-11-24-17,15-18-6-4-12-25-18)10-9-16-13-21-20-8-2-1-7-19(16)20/h1-8,11-13,21H,9-10,14-15H2
InChIKeyFZKCXWITNADZDZ-UHFFFAOYSA-N
XLogP5.55
TPSA38.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 4719995
2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride
CID 44664324
2-(1H-indol-3-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine oxide
CID 53494132
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 6473561
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
(5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one
CID 135010471
2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111806432
2-(1H-indol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 31328068
1-ethyl-3-[3-(1H-indol-3-yl)propyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111753311
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid
CID 82021366
1-ethyl-2-[3-(1H-indol-3-yl)propyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111753354

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide?
The IUPAC name of 2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide (CID 53494268) is 2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide?
The canonical SMILES for 2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide is [O-][N+](CCc1c[nH]c2ccccc12)(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide?
The InChIKey is FZKCXWITNADZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS2/c23-22(14-17-5-3-11-24-17,15-18-6-4-12-25-18)10-9-16-13-21-20-8-2-1-7-19(16)20/h1-8,11-13,21H,9-10,14-15H2.
What are the key properties of 2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide?
2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide has a molecular weight of 368.53 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide is sourced from PubChem (CID 53494268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).