4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid

C13H20N2O4S2 — CID 105414412

IUPAC4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCN(C)C1(CN(C)S(=O)(=O)c2csc(C(=O)O)c2)CCC1
InChIInChI=1S/C13H20N2O4S2/c1-14(2)13(5-4-6-13)9-15(3)21(18,19)10-7-11(12(16)17)20-8-10/h7-8H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyAUYPBPACYCIBJM-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.55
Rot. Bonds6

About 4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid

4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 105414412) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID105414412
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCN(C)C1(CN(C)S(=O)(=O)c2csc(C(=O)O)c2)CCC1
InChIInChI=1S/C13H20N2O4S2/c1-14(2)13(5-4-6-13)9-15(3)21(18,19)10-7-11(12(16)17)20-8-10/h7-8H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyAUYPBPACYCIBJM-UHFFFAOYSA-N
XLogP1.55
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide
CID 105421421
4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 16761948
4-(diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61068586
4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 55151125
4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61072437
4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073778
4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61072691
4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073791
4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61063163
5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
CID 105420013
4-[2-methylpropyl(propan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61074403

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid (CID 105414412) is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid is CN(C)C1(CN(C)S(=O)(=O)c2csc(C(=O)O)c2)CCC1.
What is the InChIKey of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is AUYPBPACYCIBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-14(2)13(5-4-6-13)9-15(3)21(18,19)10-7-11(12(16)17)20-8-10/h7-8H,4-6,9H2,1-3H3,(H,16,17).
What are the key properties of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid?
4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 332.45 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 105414412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).