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

C10H11NOS — CID 94550197

IUPAC(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
SMILESNC[C@@H](O)c1csc2ccccc12
InChIInChI=1S/C10H11NOS/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6,9,12H,5,11H2/t9-/m1/s1
InChIKeyYVNFKUXVZZRYSI-SECBINFHSA-N
MW193.27 g/mol
LogP1.89
Rot. Bonds2

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

(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol (PubChem CID 94550197) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is (1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
PubChem CID94550197
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
SMILESNC[C@@H](O)c1csc2ccccc12
InChIInChI=1S/C10H11NOS/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6,9,12H,5,11H2/t9-/m1/s1
InChIKeyYVNFKUXVZZRYSI-SECBINFHSA-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

1-(1-benzothiophen-3-yl)-3-sulfanylpropan-1-ol
CID 116831065
(3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoic acid
CID 94550405
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 60733920
3-(1-benzothiophen-3-yl)-3-hydroxypropanal
CID 114795243
2-amino-1-(1-benzothiophen-3-yl)ethanethiol
CID 116868698
1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol
CID 62773751
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
3-[1-benzothiophen-3-yl(chloro)methyl]-1-benzothiophene
CID 63433274
1-(1-benzothiophen-3-yl)hex-5-en-1-ol
CID 115804490
methyl (3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoate
CID 102175267
1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823876

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol?
The IUPAC name of (1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol (CID 94550197) is (1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol is NC[C@@H](O)c1csc2ccccc12.
What is the InChIKey of (1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol?
The InChIKey is YVNFKUXVZZRYSI-SECBINFHSA-N. The full InChI is InChI=1S/C10H11NOS/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6,9,12H,5,11H2/t9-/m1/s1.
What are the key properties of (1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol?
(1S)-2-amino-1-(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 (1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol is sourced from PubChem (CID 94550197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).