4-[methyl(methylsulfamoyl)amino]butanoic acid

C6H14N2O4S — CID 114805417

IUPAC4-[methyl(methylsulfamoyl)amino]butanoic acid
SMILESCNS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C6H14N2O4S/c1-7-13(11,12)8(2)5-3-4-6(9)10/h7H,3-5H2,1-2H3,(H,9,10)
InChIKeySTIAODAVCHPHRQ-UHFFFAOYSA-N
MW210.25 g/mol
LogP-0.75
Rot. Bonds6

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

4-[methyl(methylsulfamoyl)amino]butanoic acid (PubChem CID 114805417) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-[methyl(methylsulfamoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(methylsulfamoyl)amino]butanoic acid
PubChem CID114805417
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name4-[methyl(methylsulfamoyl)amino]butanoic acid
SMILESCNS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C6H14N2O4S/c1-7-13(11,12)8(2)5-3-4-6(9)10/h7H,3-5H2,1-2H3,(H,9,10)
InChIKeySTIAODAVCHPHRQ-UHFFFAOYSA-N
XLogP-0.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805418
(2S)-2-amino-4-(dimethylsulfamoylamino)butanoic acid
CID 89124061
2-Amino-4-(dimethylsulfamoylamino)butanoic acid
CID 89124062
4-(Aziridin-1-ylsulfonylamino)butanoic acid
CID 130470207
1-Hydroxy-4-[methyl(sulfinato)amino]-1-oxobutane
CID 134606557
(2S)-2-amino-4-[methyl(sulfamoyl)amino]butanoic acid
CID 174670391
2-Amino-4-[methyl(sulfamoyl)amino]butanoic acid
CID 174670396
4-(Dimethylsulfamoylamino)butanoic acid
CID 24263003
4-(Sulfamoylamino)butanoic acid
CID 24693646
4-(Diethylsulfamoylamino)butanoic acid
CID 28783619
4-[Dimethylsulfamoyl(methyl)amino]butanoic acid
CID 39246269
4-[Diethylsulfamoyl(methyl)amino]butanoic acid
CID 43151882

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfamoyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(methylsulfamoyl)amino]butanoic acid (CID 114805417) is 4-[methyl(methylsulfamoyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(methylsulfamoyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(methylsulfamoyl)amino]butanoic acid is CNS(=O)(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl(methylsulfamoyl)amino]butanoic acid?
The InChIKey is STIAODAVCHPHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-7-13(11,12)8(2)5-3-4-6(9)10/h7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 4-[methyl(methylsulfamoyl)amino]butanoic acid?
4-[methyl(methylsulfamoyl)amino]butanoic acid has a molecular weight of 210.25 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfamoyl)amino]butanoic acid is sourced from PubChem (CID 114805417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).