4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid

C11H15NO5S2 — CID 114628940

IUPAC4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H15NO5S2/c1-11(2)8(4-9(11)13)12-19(16,17)6-3-7(10(14)15)18-5-6/h3,5,8-9,12-13H,4H2,1-2H3,(H,14,15)
InChIKeyVXIDHMDLDKZKFF-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.88
Rot. Bonds4

About 4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid

4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 114628940) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID114628940
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Name4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H15NO5S2/c1-11(2)8(4-9(11)13)12-19(16,17)6-3-7(10(14)15)18-5-6/h3,5,8-9,12-13H,4H2,1-2H3,(H,14,15)
InChIKeyVXIDHMDLDKZKFF-UHFFFAOYSA-N
XLogP0.88
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,2-dimethyloxan-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 83028070
4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63993923
N-[4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]phenyl]acetamide
CID 114631628
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]-4-methylbenzoic acid
CID 114628921
4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63617641
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
CID 114629375
4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 97313462
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide
CID 114631600
N-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 114631487
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 114631670
4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 55248976

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid (CID 114628940) is 4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid is CC1(C)C(O)CC1NS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is VXIDHMDLDKZKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-11(2)8(4-9(11)13)12-19(16,17)6-3-7(10(14)15)18-5-6/h3,5,8-9,12-13H,4H2,1-2H3,(H,14,15).
What are the key properties of 4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 114628940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).