[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium

C14H15N2S+ — CID 2113395

IUPAC[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
SMILES[NH3+]C[C@@H](c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2S/c15-8-11(14-6-3-7-17-14)12-9-16-13-5-2-1-4-10(12)13/h1-7,9,11,16H,8,15H2/p+1/t11-/m1/s1
InChIKeyQLJAEMUUZBSJJF-LLVKDONJSA-O
MW243.36 g/mol
LogP2.60
Rot. Bonds3

About [(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium

[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium (PubChem CID 2113395) has the molecular formula C14H15N2S+ and a molecular weight of 243.36 g/mol. Its IUPAC name is [(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium.

Molecular Properties

Compound Name[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
PubChem CID2113395
Molecular FormulaC14H15N2S+
Molecular Weight243.36 g/mol
Exact Mass243.10
IUPAC Name[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
SMILES[NH3+]C[C@@H](c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2S/c15-8-11(14-6-3-7-17-14)12-9-16-13-5-2-1-4-10(12)13/h1-7,9,11,16H,8,15H2/p+1/t11-/m1/s1
InChIKeyQLJAEMUUZBSJJF-LLVKDONJSA-O
XLogP2.60
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
4-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzene-1,4-disulfonamide
CID 40818667
(2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine
CID 97014263
[(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 8645734
[(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium
CID 7061229
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
1-butyl-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]thiourea
CID 42997038
N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-nitropyridin-1-ium-2-amine
CID 9194996
N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-nitropyridin-1-ium-2-amine
CID 9194994
1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea
CID 24588097

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium?
The IUPAC name of [(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium (CID 2113395) is [(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium.
What is the SMILES notation for [(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium?
The canonical SMILES for [(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium is [NH3+]C[C@@H](c1cccs1)c1c[nH]c2ccccc12.
What is the InChIKey of [(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium?
The InChIKey is QLJAEMUUZBSJJF-LLVKDONJSA-O. The full InChI is InChI=1S/C14H14N2S/c15-8-11(14-6-3-7-17-14)12-9-16-13-5-2-1-4-10(12)13/h1-7,9,11,16H,8,15H2/p+1/t11-/m1/s1.
What are the key properties of [(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium?
[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium has a molecular weight of 243.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium is sourced from PubChem (CID 2113395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).