2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride

C15H17ClN2S — CID 44664324

IUPAC2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride
SMILES[Cl-].c1csc(C[NH2+]CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C15H16N2S.ClH/c1-2-6-15-14(5-1)12(10-17-15)7-8-16-11-13-4-3-9-18-13;/h1-6,9-10,16-17H,7-8,11H2;1H
InChIKeyPFBYGUOVLFTYHY-UHFFFAOYSA-N
MW292.84 g/mol
LogP-0.46
Rot. Bonds5

About 2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride

2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride (PubChem CID 44664324) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride
PubChem CID44664324
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride
SMILES[Cl-].c1csc(C[NH2+]CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C15H16N2S.ClH/c1-2-6-15-14(5-1)12(10-17-15)7-8-16-11-13-4-3-9-18-13;/h1-6,9-10,16-17H,7-8,11H2;1H
InChIKeyPFBYGUOVLFTYHY-UHFFFAOYSA-N
XLogP-0.46
TPSA32.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride
CID 44665134
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 4719995
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 6473561
2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide
CID 53494268
(3,5-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium
CID 2055772
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111806432
1-ethyl-3-[3-(1H-indol-3-yl)propyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111753311
[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]azanium
CID 8637005
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
(5S)-3-[2-(1H-indol-3-yl)ethyl]-5-methyl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-one
CID 135010471
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride?
The IUPAC name of 2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride (CID 44664324) is 2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride.
What is the SMILES notation for 2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride?
The canonical SMILES for 2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride is [Cl-].c1csc(C[NH2+]CCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride?
The InChIKey is PFBYGUOVLFTYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S.ClH/c1-2-6-15-14(5-1)12(10-17-15)7-8-16-11-13-4-3-9-18-13;/h1-6,9-10,16-17H,7-8,11H2;1H.
What are the key properties of 2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride?
2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride has a molecular weight of 292.84 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)azanium chloride is sourced from PubChem (CID 44664324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).