5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C11H15NO5S2 — CID 63296460

IUPAC5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCC(O)C2CC2)sc1C(=O)O
InChIInChI=1S/C11H15NO5S2/c1-6-4-9(18-10(6)11(14)15)19(16,17)12-5-8(13)7-2-3-7/h4,7-8,12-13H,2-3,5H2,1H3,(H,14,15)
InChIKeyPZYCHZKAFRHCEO-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.80
Rot. Bonds6

About 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 63296460) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID63296460
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Name5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCC(O)C2CC2)sc1C(=O)O
InChIInChI=1S/C11H15NO5S2/c1-6-4-9(18-10(6)11(14)15)19(16,17)12-5-8(13)7-2-3-7/h4,7-8,12-13H,2-3,5H2,1H3,(H,14,15)
InChIKeyPZYCHZKAFRHCEO-UHFFFAOYSA-N
XLogP0.80
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-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

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 63296460) is 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NCC(O)C2CC2)sc1C(=O)O.
What is the InChIKey of 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is PZYCHZKAFRHCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-6-4-9(18-10(6)11(14)15)19(16,17)12-5-8(13)7-2-3-7/h4,7-8,12-13H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63296460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).