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

C10H11NOS — CID 7144865

IUPAC(1S)-2-amino-1-(1-benzothiophen-2-yl)ethanol
SMILESNC[C@H](O)c1cc2ccccc2s1
InChIInChI=1S/C10H11NOS/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5,8,12H,6,11H2/t8-/m0/s1
InChIKeyDBAUVLAWSVALIA-QMMMGPOBSA-N
MW193.27 g/mol
LogP1.89
Rot. Bonds2

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

(1S)-2-amino-1-(1-benzothiophen-2-yl)ethanol (PubChem CID 7144865) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is (1S)-2-amino-1-(1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(1-benzothiophen-2-yl)ethanol
PubChem CID7144865
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name(1S)-2-amino-1-(1-benzothiophen-2-yl)ethanol
SMILESNC[C@H](O)c1cc2ccccc2s1
InChIInChI=1S/C10H11NOS/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5,8,12H,6,11H2/t8-/m0/s1
InChIKeyDBAUVLAWSVALIA-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(1-benzothiophen-2-yl)ethanol?
The IUPAC name of (1S)-2-amino-1-(1-benzothiophen-2-yl)ethanol (CID 7144865) is (1S)-2-amino-1-(1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(1-benzothiophen-2-yl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(1-benzothiophen-2-yl)ethanol is NC[C@H](O)c1cc2ccccc2s1.
What is the InChIKey of (1S)-2-amino-1-(1-benzothiophen-2-yl)ethanol?
The InChIKey is DBAUVLAWSVALIA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11NOS/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5,8,12H,6,11H2/t8-/m0/s1.
What are the key properties of (1S)-2-amino-1-(1-benzothiophen-2-yl)ethanol?
(1S)-2-amino-1-(1-benzothiophen-2-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-2-yl)ethanol is sourced from PubChem (CID 7144865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).