[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium

C18H21N2OS+ — CID 8804430

IUPAC[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
SMILESCc1ccsc1C[NH+](C)[C@H](C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2OS/c1-12-8-9-22-17(12)11-20(3)13(2)18(21)15-10-19-16-7-5-4-6-14(15)16/h4-10,13,19H,11H2,1-3H3/p+1/t13-/m1/s1
InChIKeyIOMCQRGUIONHFG-CYBMUJFWSA-O
MW313.45 g/mol
LogP2.82
Rot. Bonds5

About [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium (PubChem CID 8804430) has the molecular formula C18H21N2OS+ and a molecular weight of 313.45 g/mol. Its IUPAC name is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
PubChem CID8804430
Molecular FormulaC18H21N2OS+
Molecular Weight313.45 g/mol
Exact Mass313.14
IUPAC Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
SMILESCc1ccsc1C[NH+](C)[C@H](C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2OS/c1-12-8-9-22-17(12)11-20(3)13(2)18(21)15-10-19-16-7-5-4-6-14(15)16/h4-10,13,19H,11H2,1-3H3/p+1/t13-/m1/s1
InChIKeyIOMCQRGUIONHFG-CYBMUJFWSA-O
XLogP2.82
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810245
(4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium
CID 8540485
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8913527
1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
CID 43463190
(2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 8925594
[2-(2-chloroanilino)-2-oxoethyl]-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium
CID 8843041
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 8631199
(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one
CID 8787115
(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one
CID 8540477
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 42984043
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate
CID 7555308

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium?
The IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium (CID 8804430) is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium.
What is the SMILES notation for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium?
The canonical SMILES for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium is Cc1ccsc1C[NH+](C)[C@H](C)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium?
The InChIKey is IOMCQRGUIONHFG-CYBMUJFWSA-O. The full InChI is InChI=1S/C18H20N2OS/c1-12-8-9-22-17(12)11-20(3)13(2)18(21)15-10-19-16-7-5-4-6-14(15)16/h4-10,13,19H,11H2,1-3H3/p+1/t13-/m1/s1.
What are the key properties of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium?
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium has a molecular weight of 313.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium is sourced from PubChem (CID 8804430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).