5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid

C11H15NO3S — CID 103242542

IUPAC5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNCC2CCOC2)s1
InChIInChI=1S/C11H15NO3S/c13-11(14)10-2-1-9(16-10)6-12-5-8-3-4-15-7-8/h1-2,8,12H,3-7H2,(H,13,14)
InChIKeyIDNYEBPVYZIPRM-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.57
Rot. Bonds5

About 5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid

5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid (PubChem CID 103242542) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
PubChem CID103242542
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNCC2CCOC2)s1
InChIInChI=1S/C11H15NO3S/c13-11(14)10-2-1-9(16-10)6-12-5-8-3-4-15-7-8/h1-2,8,12H,3-7H2,(H,13,14)
InChIKeyIDNYEBPVYZIPRM-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid (CID 103242542) is 5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(CNCC2CCOC2)s1.
What is the InChIKey of 5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid?
The InChIKey is IDNYEBPVYZIPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-11(14)10-2-1-9(16-10)6-12-5-8-3-4-15-7-8/h1-2,8,12H,3-7H2,(H,13,14).
What are the key properties of 5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid?
5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid has a molecular weight of 241.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103242542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).