3-hydroxy-2-methyl-3-thiophen-3-ylpropanamide

C8H11NO2S — CID 89080058

IUPAC3-hydroxy-2-methyl-3-thiophen-3-ylpropanamide
SMILESCC(C(N)=O)C(O)c1ccsc1
InChIInChI=1S/C8H11NO2S/c1-5(8(9)11)7(10)6-2-3-12-4-6/h2-5,7,10H,1H3,(H2,9,11)
InChIKeyLTTXIADRBWFUCY-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.90
Rot. Bonds3

About 3-hydroxy-2-methyl-3-thiophen-3-ylpropanamide

3-hydroxy-2-methyl-3-thiophen-3-ylpropanamide (PubChem CID 89080058) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-3-thiophen-3-ylpropanamide
PubChem CID89080058
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name3-hydroxy-2-methyl-3-thiophen-3-ylpropanamide
SMILESCC(C(N)=O)C(O)c1ccsc1
InChIInChI=1S/C8H11NO2S/c1-5(8(9)11)7(10)6-2-3-12-4-6/h2-5,7,10H,1H3,(H2,9,11)
InChIKeyLTTXIADRBWFUCY-UHFFFAOYSA-N
XLogP0.90
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-3-thiophen-3-ylpropanamide?
The IUPAC name of 3-hydroxy-2-methyl-3-thiophen-3-ylpropanamide (CID 89080058) is 3-hydroxy-2-methyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for 3-hydroxy-2-methyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for 3-hydroxy-2-methyl-3-thiophen-3-ylpropanamide is CC(C(N)=O)C(O)c1ccsc1.
What is the InChIKey of 3-hydroxy-2-methyl-3-thiophen-3-ylpropanamide?
The InChIKey is LTTXIADRBWFUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-5(8(9)11)7(10)6-2-3-12-4-6/h2-5,7,10H,1H3,(H2,9,11).
What are the key properties of 3-hydroxy-2-methyl-3-thiophen-3-ylpropanamide?
3-hydroxy-2-methyl-3-thiophen-3-ylpropanamide has a molecular weight of 185.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 89080058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).