5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid

C11H15NO4S2 — CID 114107620

IUPAC5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
SMILESCC1(C)CC1CNS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C11H15NO4S2/c1-11(2)4-8(11)5-12-18(15,16)9-3-7(6-17-9)10(13)14/h3,6,8,12H,4-5H2,1-2H3,(H,13,14)
InChIKeyJZAIXIOGCHYAON-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.77
Rot. Bonds5

About 5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid

5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid (PubChem CID 114107620) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
PubChem CID114107620
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
SMILESCC1(C)CC1CNS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C11H15NO4S2/c1-11(2)4-8(11)5-12-18(15,16)9-3-7(6-17-9)10(13)14/h3,6,8,12H,4-5H2,1-2H3,(H,13,14)
InChIKeyJZAIXIOGCHYAON-UHFFFAOYSA-N
XLogP1.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 114109930
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]thiophene-3-carboxylic acid
CID 115282496
5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid
CID 105413237
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43214885
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 114099312
5-(2-aminoethylsulfamoyl)thiophene-3-carboxylic acid
CID 61402682
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid
CID 106142997
5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid
CID 62667746
5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid
CID 43091190
5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 106414900

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid (CID 114107620) is 5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid is CC1(C)CC1CNS(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is JZAIXIOGCHYAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-11(2)4-8(11)5-12-18(15,16)9-3-7(6-17-9)10(13)14/h3,6,8,12H,4-5H2,1-2H3,(H,13,14).
What are the key properties of 5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid?
5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 114107620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).