3-[dimethylsulfamoyl(ethyl)amino]butanoic acid

C8H18N2O4S — CID 62826176

IUPAC3-[dimethylsulfamoyl(ethyl)amino]butanoic acid
SMILESCCN(C(C)CC(=O)O)S(=O)(=O)N(C)C
InChIInChI=1S/C8H18N2O4S/c1-5-10(7(2)6-8(11)12)15(13,14)9(3)4/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyUOFLARXLLIBKJC-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.02
Rot. Bonds6

About 3-[dimethylsulfamoyl(ethyl)amino]butanoic acid

3-[dimethylsulfamoyl(ethyl)amino]butanoic acid (PubChem CID 62826176) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[dimethylsulfamoyl(ethyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[dimethylsulfamoyl(ethyl)amino]butanoic acid
PubChem CID62826176
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name3-[dimethylsulfamoyl(ethyl)amino]butanoic acid
SMILESCCN(C(C)CC(=O)O)S(=O)(=O)N(C)C
InChIInChI=1S/C8H18N2O4S/c1-5-10(7(2)6-8(11)12)15(13,14)9(3)4/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyUOFLARXLLIBKJC-UHFFFAOYSA-N
XLogP-0.02
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[dimethylsulfamoyl(ethyl)amino]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-[ethyl(propan-2-yl)amino]butanoic acid
CID 43537443
3-[(1,1-dioxothian-4-yl)sulfonyl-ethylamino]butanoic acid
CID 62827612
3-[(2,6-difluorophenyl)sulfonyl-ethylamino]butanoic acid
CID 62827786
2-[ethyl(propan-2-yl)sulfamoyl]acetic acid
CID 43265650
3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid
CID 62827439
3-[(4-carbamoylphenyl)sulfonyl-ethylamino]butanoic acid
CID 62826009
3-[(2,4-dimethylphenyl)sulfonyl-ethylamino]butanoic acid
CID 62827784
3-[(2,3-dichlorophenyl)sulfonyl-ethylamino]butanoic acid
CID 62827080
3-[ethyl-(2-fluoro-5-methylphenyl)sulfonylamino]butanoic acid
CID 62826714
3-[ethoxycarbonyl(methyl)amino]butanoic acid
CID 175076556
3-[methyl(2-methylpropyl)amino]butanoic acid
CID 43537457
3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid
CID 61449220

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylsulfamoyl(ethyl)amino]butanoic acid?
The IUPAC name of 3-[dimethylsulfamoyl(ethyl)amino]butanoic acid (CID 62826176) is 3-[dimethylsulfamoyl(ethyl)amino]butanoic acid.
What is the SMILES notation for 3-[dimethylsulfamoyl(ethyl)amino]butanoic acid?
The canonical SMILES for 3-[dimethylsulfamoyl(ethyl)amino]butanoic acid is CCN(C(C)CC(=O)O)S(=O)(=O)N(C)C.
What is the InChIKey of 3-[dimethylsulfamoyl(ethyl)amino]butanoic acid?
The InChIKey is UOFLARXLLIBKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-5-10(7(2)6-8(11)12)15(13,14)9(3)4/h7H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 3-[dimethylsulfamoyl(ethyl)amino]butanoic acid?
3-[dimethylsulfamoyl(ethyl)amino]butanoic acid has a molecular weight of 238.31 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylsulfamoyl(ethyl)amino]butanoic acid is sourced from PubChem (CID 62826176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).