3-hydroxy-3-thiophen-2-ylpropanamide;hydrochloride

C7H10ClNO2S — CID 174968450

IUPAC3-hydroxy-3-thiophen-2-ylpropanamide;hydrochloride
SMILESCl.NC(=O)CC(O)c1cccs1
InChIInChI=1S/C7H9NO2S.ClH/c8-7(10)4-5(9)6-2-1-3-11-6;/h1-3,5,9H,4H2,(H2,8,10);1H
InChIKeyAXFHUXUGBMPTEI-UHFFFAOYSA-N
MW207.68 g/mol
LogP1.08
Rot. Bonds3

About 3-hydroxy-3-thiophen-2-ylpropanamide;hydrochloride

3-hydroxy-3-thiophen-2-ylpropanamide;hydrochloride (PubChem CID 174968450) has the molecular formula C7H10ClNO2S and a molecular weight of 207.68 g/mol. Its IUPAC name is 3-hydroxy-3-thiophen-2-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-3-thiophen-2-ylpropanamide;hydrochloride
PubChem CID174968450
Molecular FormulaC7H10ClNO2S
Molecular Weight207.68 g/mol
Exact Mass207.01
IUPAC Name3-hydroxy-3-thiophen-2-ylpropanamide;hydrochloride
SMILESCl.NC(=O)CC(O)c1cccs1
InChIInChI=1S/C7H9NO2S.ClH/c8-7(10)4-5(9)6-2-1-3-11-6;/h1-3,5,9H,4H2,(H2,8,10);1H
InChIKeyAXFHUXUGBMPTEI-UHFFFAOYSA-N
XLogP1.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-thiophen-2-ylpropanamide;hydrochloride?
The IUPAC name of 3-hydroxy-3-thiophen-2-ylpropanamide;hydrochloride (CID 174968450) is 3-hydroxy-3-thiophen-2-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-hydroxy-3-thiophen-2-ylpropanamide;hydrochloride?
The canonical SMILES for 3-hydroxy-3-thiophen-2-ylpropanamide;hydrochloride is Cl.NC(=O)CC(O)c1cccs1.
What is the InChIKey of 3-hydroxy-3-thiophen-2-ylpropanamide;hydrochloride?
The InChIKey is AXFHUXUGBMPTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.ClH/c8-7(10)4-5(9)6-2-1-3-11-6;/h1-3,5,9H,4H2,(H2,8,10);1H.
What are the key properties of 3-hydroxy-3-thiophen-2-ylpropanamide;hydrochloride?
3-hydroxy-3-thiophen-2-ylpropanamide;hydrochloride has a molecular weight of 207.68 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-thiophen-2-ylpropanamide;hydrochloride is sourced from PubChem (CID 174968450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).