(2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol

C12H13NOS — CID 66514296

IUPAC(2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol
SMILESN[C@H](CO)c1ccccc1-c1cccs1
InChIInChI=1S/C12H13NOS/c13-11(8-14)9-4-1-2-5-10(9)12-6-3-7-15-12/h1-7,11,14H,8,13H2/t11-/m1/s1
InChIKeyFMZLLXNJRNDHIN-LLVKDONJSA-N
MW219.31 g/mol
LogP2.41
Rot. Bonds3

About (2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol

(2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol (PubChem CID 66514296) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol
PubChem CID66514296
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name(2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol
SMILESN[C@H](CO)c1ccccc1-c1cccs1
InChIInChI=1S/C12H13NOS/c13-11(8-14)9-4-1-2-5-10(9)12-6-3-7-15-12/h1-7,11,14H,8,13H2/t11-/m1/s1
InChIKeyFMZLLXNJRNDHIN-LLVKDONJSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(4-thiophen-2-ylphenyl)ethanol
CID 66514267
(2R)-2-amino-2-(2-pyrimidin-5-ylphenyl)ethanol
CID 66514571
2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid
CID 155667396
2-diphenylphosphoryloxy-1-(2-thiophen-2-ylphenyl)ethanol
CID 175038346
[4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol
CID 137421749
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
3-amino-3-(4-thiophen-2-ylphenyl)propan-1-ol
CID 170875139
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol (CID 66514296) is (2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol is N[C@H](CO)c1ccccc1-c1cccs1.
What is the InChIKey of (2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol?
The InChIKey is FMZLLXNJRNDHIN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13NOS/c13-11(8-14)9-4-1-2-5-10(9)12-6-3-7-15-12/h1-7,11,14H,8,13H2/t11-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol?
(2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol has a molecular weight of 219.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol is sourced from PubChem (CID 66514296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).