2-amino-2-thiophen-2-ylethanol

C6H9NOS — CID 54000759

IUPAC2-amino-2-thiophen-2-ylethanol
SMILESNC(CO)c1cccs1
InChIInChI=1S/C6H9NOS/c7-5(4-8)6-2-1-3-9-6/h1-3,5,8H,4,7H2
InChIKeyKLKQAOHZFHBEIQ-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.74
Rot. Bonds2

About 2-amino-2-thiophen-2-ylethanol

2-amino-2-thiophen-2-ylethanol (PubChem CID 54000759) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 2-amino-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-amino-2-thiophen-2-ylethanol
PubChem CID54000759
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name2-amino-2-thiophen-2-ylethanol
SMILESNC(CO)c1cccs1
InChIInChI=1S/C6H9NOS/c7-5(4-8)6-2-1-3-9-6/h1-3,5,8H,4,7H2
InChIKeyKLKQAOHZFHBEIQ-UHFFFAOYSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-thiophen-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-thiophen-2-ylethanol?
The IUPAC name of 2-amino-2-thiophen-2-ylethanol (CID 54000759) is 2-amino-2-thiophen-2-ylethanol.
What is the SMILES notation for 2-amino-2-thiophen-2-ylethanol?
The canonical SMILES for 2-amino-2-thiophen-2-ylethanol is NC(CO)c1cccs1.
What is the InChIKey of 2-amino-2-thiophen-2-ylethanol?
The InChIKey is KLKQAOHZFHBEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c7-5(4-8)6-2-1-3-9-6/h1-3,5,8H,4,7H2.
What are the key properties of 2-amino-2-thiophen-2-ylethanol?
2-amino-2-thiophen-2-ylethanol has a molecular weight of 143.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-thiophen-2-ylethanol is sourced from PubChem (CID 54000759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).