3-hydroxy-3-thiophen-3-ylpropanamide

C7H9NO2S — CID 130019242

IUPAC3-hydroxy-3-thiophen-3-ylpropanamide
SMILESNC(=O)CC(O)c1ccsc1
InChIInChI=1S/C7H9NO2S/c8-7(10)3-6(9)5-1-2-11-4-5/h1-2,4,6,9H,3H2,(H2,8,10)
InChIKeyKZJRFHYMNHGLBL-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.66
Rot. Bonds3

About 3-hydroxy-3-thiophen-3-ylpropanamide

3-hydroxy-3-thiophen-3-ylpropanamide (PubChem CID 130019242) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-hydroxy-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name3-hydroxy-3-thiophen-3-ylpropanamide
PubChem CID130019242
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name3-hydroxy-3-thiophen-3-ylpropanamide
SMILESNC(=O)CC(O)c1ccsc1
InChIInChI=1S/C7H9NO2S/c8-7(10)3-6(9)5-1-2-11-4-5/h1-2,4,6,9H,3H2,(H2,8,10)
InChIKeyKZJRFHYMNHGLBL-UHFFFAOYSA-N
XLogP0.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.66
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-3-ylpropanamide?
The IUPAC name of 3-hydroxy-3-thiophen-3-ylpropanamide (CID 130019242) is 3-hydroxy-3-thiophen-3-ylpropanamide.
What is the SMILES notation for 3-hydroxy-3-thiophen-3-ylpropanamide?
The canonical SMILES for 3-hydroxy-3-thiophen-3-ylpropanamide is NC(=O)CC(O)c1ccsc1.
What is the InChIKey of 3-hydroxy-3-thiophen-3-ylpropanamide?
The InChIKey is KZJRFHYMNHGLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c8-7(10)3-6(9)5-1-2-11-4-5/h1-2,4,6,9H,3H2,(H2,8,10).
What are the key properties of 3-hydroxy-3-thiophen-3-ylpropanamide?
3-hydroxy-3-thiophen-3-ylpropanamide has a molecular weight of 171.22 g/mol, XLogP of 0.66, 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-3-ylpropanamide is sourced from PubChem (CID 130019242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).