5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid

C11H16N2O4S2 — CID 62976488

IUPAC5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCN(CCNS(=O)(=O)c1ccc(C(=O)O)s1)C1CC1
InChIInChI=1S/C11H16N2O4S2/c1-13(8-2-3-8)7-6-12-19(16,17)10-5-4-9(18-10)11(14)15/h4-5,8,12H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyRGXUJUNVXSQEHA-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.82
Rot. Bonds7

About 5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid

5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 62976488) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID62976488
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCN(CCNS(=O)(=O)c1ccc(C(=O)O)s1)C1CC1
InChIInChI=1S/C11H16N2O4S2/c1-13(8-2-3-8)7-6-12-19(16,17)10-5-4-9(18-10)11(14)15/h4-5,8,12H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyRGXUJUNVXSQEHA-UHFFFAOYSA-N
XLogP0.82
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 114515088
5-[(2-methylcyclopentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63281765
5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907804
N-cyclopropyl-N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113052210
5-[cyclopentyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026500
5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114615365
5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114107579
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 47813772
5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 65115857
5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61027372
5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid
CID 106003735
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755

Frequently Asked Questions

What is the IUPAC name of 5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid (CID 62976488) is 5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid is CN(CCNS(=O)(=O)c1ccc(C(=O)O)s1)C1CC1.
What is the InChIKey of 5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is RGXUJUNVXSQEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-13(8-2-3-8)7-6-12-19(16,17)10-5-4-9(18-10)11(14)15/h4-5,8,12H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid?
5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 62976488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).