(3S)-3-hydroxy-3-thiophen-2-ylpropanamide

C7H9NO2S — CID 174446233

IUPAC(3S)-3-hydroxy-3-thiophen-2-ylpropanamide
SMILESNC(=O)C[C@H](O)c1cccs1
InChIInChI=1S/C7H9NO2S/c8-7(10)4-5(9)6-2-1-3-11-6/h1-3,5,9H,4H2,(H2,8,10)/t5-/m0/s1
InChIKeyGLHSVGGZOOCTHH-YFKPBYRVSA-N
MW171.22 g/mol
LogP0.66
Rot. Bonds3

About (3S)-3-hydroxy-3-thiophen-2-ylpropanamide

(3S)-3-hydroxy-3-thiophen-2-ylpropanamide (PubChem CID 174446233) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-thiophen-2-ylpropanamide
PubChem CID174446233
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name(3S)-3-hydroxy-3-thiophen-2-ylpropanamide
SMILESNC(=O)C[C@H](O)c1cccs1
InChIInChI=1S/C7H9NO2S/c8-7(10)4-5(9)6-2-1-3-11-6/h1-3,5,9H,4H2,(H2,8,10)/t5-/m0/s1
InChIKeyGLHSVGGZOOCTHH-YFKPBYRVSA-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 (3S)-3-hydroxy-3-thiophen-2-ylpropanamide?
The IUPAC name of (3S)-3-hydroxy-3-thiophen-2-ylpropanamide (CID 174446233) is (3S)-3-hydroxy-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3S)-3-hydroxy-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3S)-3-hydroxy-3-thiophen-2-ylpropanamide is NC(=O)C[C@H](O)c1cccs1.
What is the InChIKey of (3S)-3-hydroxy-3-thiophen-2-ylpropanamide?
The InChIKey is GLHSVGGZOOCTHH-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9NO2S/c8-7(10)4-5(9)6-2-1-3-11-6/h1-3,5,9H,4H2,(H2,8,10)/t5-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-thiophen-2-ylpropanamide?
(3S)-3-hydroxy-3-thiophen-2-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 (3S)-3-hydroxy-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 174446233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).