5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid

C13H15NO3S — CID 113352947

IUPAC5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCC2(C3CC3)CC2)s1
InChIInChI=1S/C13H15NO3S/c15-11(9-3-4-10(18-9)12(16)17)14-7-13(5-6-13)8-1-2-8/h3-4,8H,1-2,5-7H2,(H,14,15)(H,16,17)
InChIKeyOAFMBBRBDWJRCL-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.37
Rot. Bonds5

About 5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid

5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 113352947) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID113352947
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCC2(C3CC3)CC2)s1
InChIInChI=1S/C13H15NO3S/c15-11(9-3-4-10(18-9)12(16)17)14-7-13(5-6-13)8-1-2-8/h3-4,8H,1-2,5-7H2,(H,14,15)(H,16,17)
InChIKeyOAFMBBRBDWJRCL-UHFFFAOYSA-N
XLogP2.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103839294
N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 103839322
2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid
CID 122056076
2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid
CID 103932730
2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide
CID 103839382
N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide
CID 113355829
N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide
CID 103839267
N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 104954916
5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 81039815
2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide
CID 114096122
N-[(1-cyclopropylcyclopropyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 103841045
4-[[(1-cyclopropylcyclobutyl)methylcarbamoylamino]methyl]benzoic acid
CID 122007556

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid (CID 113352947) is 5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)NCC2(C3CC3)CC2)s1.
What is the InChIKey of 5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is OAFMBBRBDWJRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c15-11(9-3-4-10(18-9)12(16)17)14-7-13(5-6-13)8-1-2-8/h3-4,8H,1-2,5-7H2,(H,14,15)(H,16,17).
What are the key properties of 5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid?
5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 113352947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).