3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid

C10H13NO3S — CID 68518867

IUPAC3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid
SMILESCc1cc(N2CCOCC2)sc1C(=O)O
InChIInChI=1S/C10H13NO3S/c1-7-6-8(15-9(7)10(12)13)11-2-4-14-5-3-11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyULFPSFRGIVUNCK-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.59
Rot. Bonds2

About 3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid

3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid (PubChem CID 68518867) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid
PubChem CID68518867
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid
SMILESCc1cc(N2CCOCC2)sc1C(=O)O
InChIInChI=1S/C10H13NO3S/c1-7-6-8(15-9(7)10(12)13)11-2-4-14-5-3-11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyULFPSFRGIVUNCK-UHFFFAOYSA-N
XLogP1.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid (CID 68518867) is 3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid is Cc1cc(N2CCOCC2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid?
The InChIKey is ULFPSFRGIVUNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-7-6-8(15-9(7)10(12)13)11-2-4-14-5-3-11/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid?
3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid has a molecular weight of 227.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 68518867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).