[(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium

C13H16NOS+ — CID 8623092

IUPAC[(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium
SMILESO[C@H](C[NH2+]Cc1ccsc1)c1ccccc1
InChIInChI=1S/C13H15NOS/c15-13(12-4-2-1-3-5-12)9-14-8-11-6-7-16-10-11/h1-7,10,13-15H,8-9H2/p+1/t13-/m1/s1
InChIKeyIQAQEIUNTHOGDR-CYBMUJFWSA-O
MW234.34 g/mol
LogP1.55
Rot. Bonds5

About [(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium

[(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium (PubChem CID 8623092) has the molecular formula C13H16NOS+ and a molecular weight of 234.34 g/mol. Its IUPAC name is [(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium.

Molecular Properties

Compound Name[(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium
PubChem CID8623092
Molecular FormulaC13H16NOS+
Molecular Weight234.34 g/mol
Exact Mass234.09
IUPAC Name[(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium
SMILESO[C@H](C[NH2+]Cc1ccsc1)c1ccccc1
InChIInChI=1S/C13H15NOS/c15-13(12-4-2-1-3-5-12)9-14-8-11-6-7-16-10-11/h1-7,10,13-15H,8-9H2/p+1/t13-/m1/s1
InChIKeyIQAQEIUNTHOGDR-CYBMUJFWSA-O
XLogP1.55
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium
CID 8623097
[(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8621627
(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium
CID 7394464
[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium
CID 6948811
[(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium
CID 2118938
(2R)-2-phenyl-2-(thiophen-3-ylmethylamino)ethanol
CID 103766360
1-(3-phenoxyphenyl)-2-thiophen-3-ylethanol
CID 65148023
(2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium
CID 8622999
(4-ethylphenyl)methyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium
CID 7827259
1-(3-fluorophenyl)-2-thiophen-3-ylethanol
CID 62607958
3-(3-bromo-2-phenylpropyl)thiophene
CID 66040659
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium?
The IUPAC name of [(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium (CID 8623092) is [(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium.
What is the SMILES notation for [(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium?
The canonical SMILES for [(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium is O[C@H](C[NH2+]Cc1ccsc1)c1ccccc1.
What is the InChIKey of [(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium?
The InChIKey is IQAQEIUNTHOGDR-CYBMUJFWSA-O. The full InChI is InChI=1S/C13H15NOS/c15-13(12-4-2-1-3-5-12)9-14-8-11-6-7-16-10-11/h1-7,10,13-15H,8-9H2/p+1/t13-/m1/s1.
What are the key properties of [(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium?
[(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium has a molecular weight of 234.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium is sourced from PubChem (CID 8623092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).