2,3-dihydroxy-3-(4-methylthiophen-3-yl)propanamide

C8H11NO3S — CID 171867559

IUPAC2,3-dihydroxy-3-(4-methylthiophen-3-yl)propanamide
SMILESCc1cscc1C(O)C(O)C(N)=O
InChIInChI=1S/C8H11NO3S/c1-4-2-13-3-5(4)6(10)7(11)8(9)12/h2-3,6-7,10-11H,1H3,(H2,9,12)
InChIKeyUWTBNHFVIIAUSU-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.06
Rot. Bonds3

About 2,3-dihydroxy-3-(4-methylthiophen-3-yl)propanamide

2,3-dihydroxy-3-(4-methylthiophen-3-yl)propanamide (PubChem CID 171867559) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(4-methylthiophen-3-yl)propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-3-(4-methylthiophen-3-yl)propanamide
PubChem CID171867559
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2,3-dihydroxy-3-(4-methylthiophen-3-yl)propanamide
SMILESCc1cscc1C(O)C(O)C(N)=O
InChIInChI=1S/C8H11NO3S/c1-4-2-13-3-5(4)6(10)7(11)8(9)12/h2-3,6-7,10-11H,1H3,(H2,9,12)
InChIKeyUWTBNHFVIIAUSU-UHFFFAOYSA-N
XLogP-0.06
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.06
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-(4-methylthiophen-3-yl)propanamide?
The IUPAC name of 2,3-dihydroxy-3-(4-methylthiophen-3-yl)propanamide (CID 171867559) is 2,3-dihydroxy-3-(4-methylthiophen-3-yl)propanamide.
What is the SMILES notation for 2,3-dihydroxy-3-(4-methylthiophen-3-yl)propanamide?
The canonical SMILES for 2,3-dihydroxy-3-(4-methylthiophen-3-yl)propanamide is Cc1cscc1C(O)C(O)C(N)=O.
What is the InChIKey of 2,3-dihydroxy-3-(4-methylthiophen-3-yl)propanamide?
The InChIKey is UWTBNHFVIIAUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-4-2-13-3-5(4)6(10)7(11)8(9)12/h2-3,6-7,10-11H,1H3,(H2,9,12).
What are the key properties of 2,3-dihydroxy-3-(4-methylthiophen-3-yl)propanamide?
2,3-dihydroxy-3-(4-methylthiophen-3-yl)propanamide has a molecular weight of 201.25 g/mol, XLogP of -0.06, 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-(4-methylthiophen-3-yl)propanamide is sourced from PubChem (CID 171867559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).