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

C17H20N3OS+ — CID 8645734

IUPAC[(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
SMILESC[C@H]([NH2+]C[C@@H](c1cccs1)c1c[nH]c2ccccc12)C(N)=O
InChIInChI=1S/C17H19N3OS/c1-11(17(18)21)19-10-14(16-7-4-8-22-16)13-9-20-15-6-3-2-5-12(13)15/h2-9,11,14,19-20H,10H2,1H3,(H2,18,21)/p+1/t11-,14+/m0/s1
InChIKeyVEYFIVBGTSHRDH-SMDDNHRTSA-O
MW314.43 g/mol
LogP1.80
Rot. Bonds6

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

[(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium (PubChem CID 8645734) has the molecular formula C17H20N3OS+ and a molecular weight of 314.43 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
PubChem CID8645734
Molecular FormulaC17H20N3OS+
Molecular Weight314.43 g/mol
Exact Mass314.13
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
SMILESC[C@H]([NH2+]C[C@@H](c1cccs1)c1c[nH]c2ccccc12)C(N)=O
InChIInChI=1S/C17H19N3OS/c1-11(17(18)21)19-10-14(16-7-4-8-22-16)13-9-20-15-6-3-2-5-12(13)15/h2-9,11,14,19-20H,10H2,1H3,(H2,18,21)/p+1/t11-,14+/m0/s1
InChIKeyVEYFIVBGTSHRDH-SMDDNHRTSA-O
XLogP1.80
TPSA75.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium with MolForge

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Related Compounds

[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
CID 8645797
[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 8645699
[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 8645728
[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 8645722
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489
[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
CID 8645405
[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
CID 8645400
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 8645786
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 2113395
1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea
CID 24588097
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium (CID 8645734) is [(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium is C[C@H]([NH2+]C[C@@H](c1cccs1)c1c[nH]c2ccccc12)C(N)=O.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium?
The InChIKey is VEYFIVBGTSHRDH-SMDDNHRTSA-O. The full InChI is InChI=1S/C17H19N3OS/c1-11(17(18)21)19-10-14(16-7-4-8-22-16)13-9-20-15-6-3-2-5-12(13)15/h2-9,11,14,19-20H,10H2,1H3,(H2,18,21)/p+1/t11-,14+/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium?
[(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium has a molecular weight of 314.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium is sourced from PubChem (CID 8645734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).