5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid

C12H18N2O4S2 — CID 105413237

IUPAC5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid
SMILESCN(C)C1(CNS(=O)(=O)c2cc(C(=O)O)cs2)CCC1
InChIInChI=1S/C12H18N2O4S2/c1-14(2)12(4-3-5-12)8-13-20(17,18)10-6-9(7-19-10)11(15)16/h6-7,13H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyWKHRAXWSSUWXFF-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.21
Rot. Bonds6

About 5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid

5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid (PubChem CID 105413237) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid
PubChem CID105413237
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC Name5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid
SMILESCN(C)C1(CNS(=O)(=O)c2cc(C(=O)O)cs2)CCC1
InChIInChI=1S/C12H18N2O4S2/c1-14(2)12(4-3-5-12)8-13-20(17,18)10-6-9(7-19-10)11(15)16/h6-7,13H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyWKHRAXWSSUWXFF-UHFFFAOYSA-N
XLogP1.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]thiophene-3-carboxylic acid
CID 115282496
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 114099312
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43214885
5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 114107620
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid
CID 106142997
3-[[1-(dimethylamino)cycloheptyl]methylsulfamoyl]-4-methoxybenzoic acid
CID 45422378
5-(2-aminoethylsulfamoyl)thiophene-3-carboxylic acid
CID 61402682
5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 78913710
5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104656510
5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid
CID 43091190

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid (CID 105413237) is 5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid is CN(C)C1(CNS(=O)(=O)c2cc(C(=O)O)cs2)CCC1.
What is the InChIKey of 5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is WKHRAXWSSUWXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-14(2)12(4-3-5-12)8-13-20(17,18)10-6-9(7-19-10)11(15)16/h6-7,13H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of 5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid?
5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 318.42 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 105413237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).