[(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

C20H22NO2S+ — CID 8621627

IUPAC[(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
SMILESO[C@H](C[NH2+]Cc1ccc(OCc2cccs2)cc1)c1ccccc1
InChIInChI=1S/C20H21NO2S/c22-20(17-5-2-1-3-6-17)14-21-13-16-8-10-18(11-9-16)23-15-19-7-4-12-24-19/h1-12,20-22H,13-15H2/p+1/t20-/m1/s1
InChIKeyKJAXDZIHVZMEGA-HXUWFJFHSA-O
MW340.47 g/mol
LogP3.12
Rot. Bonds8

About [(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

[(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium (PubChem CID 8621627) has the molecular formula C20H22NO2S+ and a molecular weight of 340.47 g/mol. Its IUPAC name is [(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium.

Molecular Properties

Compound Name[(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
PubChem CID8621627
Molecular FormulaC20H22NO2S+
Molecular Weight340.47 g/mol
Exact Mass340.14
IUPAC Name[(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
SMILESO[C@H](C[NH2+]Cc1ccc(OCc2cccs2)cc1)c1ccccc1
InChIInChI=1S/C20H21NO2S/c22-20(17-5-2-1-3-6-17)14-21-13-16-8-10-18(11-9-16)23-15-19-7-4-12-24-19/h1-12,20-22H,13-15H2/p+1/t20-/m1/s1
InChIKeyKJAXDZIHVZMEGA-HXUWFJFHSA-O
XLogP3.12
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]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

(1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol
CID 8621628
methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 7827460
4-hydroxy-4-[4-(thiophen-2-ylmethoxy)phenyl]butanoic acid
CID 25178168
1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
CID 115496016
[(2R)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium
CID 8623097
[(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium
CID 8623092
[(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 7827012
2-[[4-(bromomethyl)phenoxy]methyl]thiophene
CID 43141545
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
2-[(4-phenylmethoxyphenyl)methyl]thiophene
CID 101069381
2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile
CID 24703344
1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 43504299

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
The IUPAC name of [(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium (CID 8621627) is [(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium.
What is the SMILES notation for [(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
The canonical SMILES for [(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium is O[C@H](C[NH2+]Cc1ccc(OCc2cccs2)cc1)c1ccccc1.
What is the InChIKey of [(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
The InChIKey is KJAXDZIHVZMEGA-HXUWFJFHSA-O. The full InChI is InChI=1S/C20H21NO2S/c22-20(17-5-2-1-3-6-17)14-21-13-16-8-10-18(11-9-16)23-15-19-7-4-12-24-19/h1-12,20-22H,13-15H2/p+1/t20-/m1/s1.
What are the key properties of [(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
[(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium has a molecular weight of 340.47 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium is sourced from PubChem (CID 8621627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).