(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol

C10H11NOS — CID 94550401

IUPAC(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
SMILESN[C@@H](CO)c1csc2ccccc12
InChIInChI=1S/C10H11NOS/c11-9(5-12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6,9,12H,5,11H2/t9-/m0/s1
InChIKeyHMNGJWLZGNEWNZ-VIFPVBQESA-N
MW193.27 g/mol
LogP1.89
Rot. Bonds2

About (2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol

(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol (PubChem CID 94550401) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is (2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
PubChem CID94550401
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
SMILESN[C@@H](CO)c1csc2ccccc12
InChIInChI=1S/C10H11NOS/c11-9(5-12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6,9,12H,5,11H2/t9-/m0/s1
InChIKeyHMNGJWLZGNEWNZ-VIFPVBQESA-N
XLogP1.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 29081655
1-(1-benzothiophen-3-yl)but-3-en-1-amine
CID 112693252
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
(1S)-1-(1-benzothiophen-3-yl)-4,4,4-trifluorobutan-1-amine
CID 171224591
(1R)-1-(1-benzothiophen-3-yl)but-3-en-1-amine;hydrochloride
CID 171205013
2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide
CID 61328580
5-amino-5-(1-benzothiophen-3-yl)pentan-2-one
CID 116940781
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
1-(1-benzothiophen-3-yl)-2-(4-fluorophenyl)ethanamine
CID 43150893
1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine
CID 63833767
(3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171241342
(1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride
CID 171224605

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol?
The IUPAC name of (2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol (CID 94550401) is (2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol is N[C@@H](CO)c1csc2ccccc12.
What is the InChIKey of (2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol?
The InChIKey is HMNGJWLZGNEWNZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11NOS/c11-9(5-12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6,9,12H,5,11H2/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol?
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol has a molecular weight of 193.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol is sourced from PubChem (CID 94550401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).