3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid

C14H22N2O4S — CID 64529142

IUPAC3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid
SMILESCN(C)C(C)(CC(=O)O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-14(15(2)3,10-13(17)18)11-6-8-12(9-7-11)21(19,20)16(4)5/h6-9H,10H2,1-5H3,(H,17,18)
InChIKeyDUFRCSCZOOHJIY-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.19
Rot. Bonds6

About 3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid

3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid (PubChem CID 64529142) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid
PubChem CID64529142
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid
SMILESCN(C)C(C)(CC(=O)O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H22N2O4S/c1-14(15(2)3,10-13(17)18)11-6-8-12(9-7-11)21(19,20)16(4)5/h6-9H,10H2,1-5H3,(H,17,18)
InChIKeyDUFRCSCZOOHJIY-UHFFFAOYSA-N
XLogP1.19
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)-3-[4-(trifluoromethyl)phenyl]butanoic acid
CID 64526799
2-[4-(dimethylsulfamoyl)phenyl]-2-(prop-2-ynylamino)propanoic acid
CID 62355310
4-(dimethylsulfamoyl)-N-(2-phenylpropan-2-yl)benzamide
CID 113091738
4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59667875
4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 51188883
6-[4-(dimethylsulfamoyl)anilino]hexanoic acid
CID 43453874
3-(4-tert-butylphenyl)-3-(diethylamino)butanoic acid
CID 64526621
1-N-(3,3-dimethyl-2-oxobutyl)-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 1442032
3-amino-3-(4-methylsulfonylphenyl)butanoic acid
CID 64664945
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N,N-dimethylbenzenesulfonamide
CID 106145518
3-[4-(dimethylsulfamoyl)anilino]butanoic acid
CID 43453879

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid?
The IUPAC name of 3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid (CID 64529142) is 3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid.
What is the SMILES notation for 3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid?
The canonical SMILES for 3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid is CN(C)C(C)(CC(=O)O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid?
The InChIKey is DUFRCSCZOOHJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(15(2)3,10-13(17)18)11-6-8-12(9-7-11)21(19,20)16(4)5/h6-9H,10H2,1-5H3,(H,17,18).
What are the key properties of 3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid?
3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid has a molecular weight of 314.41 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-[4-(dimethylsulfamoyl)phenyl]butanoic acid is sourced from PubChem (CID 64529142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).