2,3-dihydroxy-3-thiophen-3-ylpropanamide

C7H9NO3S — CID 171867544

IUPAC2,3-dihydroxy-3-thiophen-3-ylpropanamide
SMILESNC(=O)C(O)C(O)c1ccsc1
InChIInChI=1S/C7H9NO3S/c8-7(11)6(10)5(9)4-1-2-12-3-4/h1-3,5-6,9-10H,(H2,8,11)
InChIKeyMZXDHCOFJWTIKH-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.37
Rot. Bonds3

About 2,3-dihydroxy-3-thiophen-3-ylpropanamide

2,3-dihydroxy-3-thiophen-3-ylpropanamide (PubChem CID 171867544) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2,3-dihydroxy-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name2,3-dihydroxy-3-thiophen-3-ylpropanamide
PubChem CID171867544
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name2,3-dihydroxy-3-thiophen-3-ylpropanamide
SMILESNC(=O)C(O)C(O)c1ccsc1
InChIInChI=1S/C7H9NO3S/c8-7(11)6(10)5(9)4-1-2-12-3-4/h1-3,5-6,9-10H,(H2,8,11)
InChIKeyMZXDHCOFJWTIKH-UHFFFAOYSA-N
XLogP-0.37
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-thiophen-3-ylpropanamide?
The IUPAC name of 2,3-dihydroxy-3-thiophen-3-ylpropanamide (CID 171867544) is 2,3-dihydroxy-3-thiophen-3-ylpropanamide.
What is the SMILES notation for 2,3-dihydroxy-3-thiophen-3-ylpropanamide?
The canonical SMILES for 2,3-dihydroxy-3-thiophen-3-ylpropanamide is NC(=O)C(O)C(O)c1ccsc1.
What is the InChIKey of 2,3-dihydroxy-3-thiophen-3-ylpropanamide?
The InChIKey is MZXDHCOFJWTIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c8-7(11)6(10)5(9)4-1-2-12-3-4/h1-3,5-6,9-10H,(H2,8,11).
What are the key properties of 2,3-dihydroxy-3-thiophen-3-ylpropanamide?
2,3-dihydroxy-3-thiophen-3-ylpropanamide has a molecular weight of 187.22 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 171867544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).