4-[dimethylsulfamoyl(methyl)amino]butanoic acid

C7H16N2O4S — CID 39246269

IUPAC4-[dimethylsulfamoyl(methyl)amino]butanoic acid
SMILESCN(C)S(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-8(2)14(12,13)9(3)6-4-5-7(10)11/h4-6H2,1-3H3,(H,10,11)
InChIKeyBXGONJWACKVEPG-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.41
Rot. Bonds6

About 4-[dimethylsulfamoyl(methyl)amino]butanoic acid

4-[dimethylsulfamoyl(methyl)amino]butanoic acid (PubChem CID 39246269) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(methyl)amino]butanoic acid
PubChem CID39246269
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name4-[dimethylsulfamoyl(methyl)amino]butanoic acid
SMILESCN(C)S(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-8(2)14(12,13)9(3)6-4-5-7(10)11/h4-6H2,1-3H3,(H,10,11)
InChIKeyBXGONJWACKVEPG-UHFFFAOYSA-N
XLogP-0.41
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Methyl(methylsulfonyl)amino]butanoic acid
CID 39239437
1-Hydroxy-4-[methyl(sulfinato)amino]-1-oxobutane
CID 134606557
4-[Methyl(sulfanyl)amino]butanoic acid
CID 170031421
4-[Ethyl(sulfanyl)amino]butanoic acid
CID 175718837
4-(Dimethylsulfamoylamino)butanoic acid
CID 24263003
4-(Diethylsulfamoylamino)butanoic acid
CID 28783619
4-[Ethyl(methylsulfonyl)amino]butanoic acid
CID 39242296
4-[Methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid
CID 43151879
4-[Methyl(1-piperidinylsulfonyl)amino]butanoic acid
CID 43151881
4-[Diethylsulfamoyl(methyl)amino]butanoic acid
CID 43151882
4-[[Butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
4-(Dipropylsulfamoylamino)butanoic acid
CID 43361170

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]butanoic acid (CID 39246269) is 4-[dimethylsulfamoyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[dimethylsulfamoyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[dimethylsulfamoyl(methyl)amino]butanoic acid is CN(C)S(=O)(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[dimethylsulfamoyl(methyl)amino]butanoic acid?
The InChIKey is BXGONJWACKVEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-8(2)14(12,13)9(3)6-4-5-7(10)11/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-[dimethylsulfamoyl(methyl)amino]butanoic acid?
4-[dimethylsulfamoyl(methyl)amino]butanoic acid has a molecular weight of 224.28 g/mol, XLogP of -0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(methyl)amino]butanoic acid is sourced from PubChem (CID 39246269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).