2-amino-4-(dimethylsulfamoylamino)butanoic acid

C6H15N3O4S — CID 89124062

IUPAC2-amino-4-(dimethylsulfamoylamino)butanoic acid
SMILESCN(C)S(=O)(=O)NCCC(N)C(=O)O
InChIInChI=1S/C6H15N3O4S/c1-9(2)14(12,13)8-4-3-5(7)6(10)11/h5,8H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyJGNOQLAXJWXYJG-UHFFFAOYSA-N
MW225.27 g/mol
LogP-1.82
Rot. Bonds6

About 2-amino-4-(dimethylsulfamoylamino)butanoic acid

2-amino-4-(dimethylsulfamoylamino)butanoic acid (PubChem CID 89124062) has the molecular formula C6H15N3O4S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-amino-4-(dimethylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(dimethylsulfamoylamino)butanoic acid
PubChem CID89124062
Molecular FormulaC6H15N3O4S
Molecular Weight225.27 g/mol
Exact Mass225.08
IUPAC Name2-amino-4-(dimethylsulfamoylamino)butanoic acid
SMILESCN(C)S(=O)(=O)NCCC(N)C(=O)O
InChIInChI=1S/C6H15N3O4S/c1-9(2)14(12,13)8-4-3-5(7)6(10)11/h5,8H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyJGNOQLAXJWXYJG-UHFFFAOYSA-N
XLogP-1.82
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-(methylamino)butanoic acid
CID 21295102
(S)-2-Amino-4-(dimethylamino)butanoic acid
CID 28175923
(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 89123541
2-Amino-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 89123542
2-Amino-4-[sulfamoyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 123398581
(2S)-2-amino-4-[sulfamoyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 144190614
2-Amino-4-(dimethylamino)butanoic acid
CID 13040926
2-(Dimethylsulfamoylamino)propanoic acid
CID 24262836
(2R)-2-Amino-4-(dimethylamino)butanoic acid
CID 28175920
(2S)-2-(dimethylsulfamoylamino)propanoic acid
CID 28363742
(S)-2-Amino-4-(methylamino)butanoic acid
CID 55288587
(2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 67154518

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dimethylsulfamoylamino)butanoic acid?
The IUPAC name of 2-amino-4-(dimethylsulfamoylamino)butanoic acid (CID 89124062) is 2-amino-4-(dimethylsulfamoylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(dimethylsulfamoylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(dimethylsulfamoylamino)butanoic acid is CN(C)S(=O)(=O)NCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(dimethylsulfamoylamino)butanoic acid?
The InChIKey is JGNOQLAXJWXYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O4S/c1-9(2)14(12,13)8-4-3-5(7)6(10)11/h5,8H,3-4,7H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-4-(dimethylsulfamoylamino)butanoic acid?
2-amino-4-(dimethylsulfamoylamino)butanoic acid has a molecular weight of 225.27 g/mol, XLogP of -1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dimethylsulfamoylamino)butanoic acid is sourced from PubChem (CID 89124062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).