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

C11H15NO5S2 — CID 43578743

IUPAC5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N(CCO)C2CC2)sc1C(=O)O
InChIInChI=1S/C11H15NO5S2/c1-7-6-9(18-10(7)11(14)15)19(16,17)12(4-5-13)8-2-3-8/h6,8,13H,2-5H2,1H3,(H,14,15)
InChIKeyOWNJEEZKZDGIPL-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.90
Rot. Bonds6

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

5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 43578743) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID43578743
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Name5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N(CCO)C2CC2)sc1C(=O)O
InChIInChI=1S/C11H15NO5S2/c1-7-6-9(18-10(7)11(14)15)19(16,17)12(4-5-13)8-2-3-8/h6,8,13H,2-5H2,1H3,(H,14,15)
InChIKeyOWNJEEZKZDGIPL-UHFFFAOYSA-N
XLogP0.90
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950437
5-[2-cyanoethyl(cyclopropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 61040162
5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60952426
3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-methylbenzoic acid
CID 43578757
5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950394
5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 127020813
5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 60950128
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 79588511
N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 43577627
3-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63275730
2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 43577625
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102860909

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 43578743) is 5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)N(CCO)C2CC2)sc1C(=O)O.
What is the InChIKey of 5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is OWNJEEZKZDGIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-7-6-9(18-10(7)11(14)15)19(16,17)12(4-5-13)8-2-3-8/h6,8,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43578743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).