(2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid

C11H17N3O4S — CID 67154200

IUPAC(2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid
SMILESCN(C)c1ccc(S(=O)(=O)NC[C@H](N)C(=O)O)cc1
InChIInChI=1S/C11H17N3O4S/c1-14(2)8-3-5-9(6-4-8)19(17,18)13-7-10(12)11(15)16/h3-6,10,13H,7,12H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyCFWXGXOFGARPHG-JTQLQIEISA-N
MW287.34 g/mol
LogP-0.56
Rot. Bonds6

About (2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid

(2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid (PubChem CID 67154200) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is (2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid
PubChem CID67154200
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name(2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid
SMILESCN(C)c1ccc(S(=O)(=O)NC[C@H](N)C(=O)O)cc1
InChIInChI=1S/C11H17N3O4S/c1-14(2)8-3-5-9(6-4-8)19(17,18)13-7-10(12)11(15)16/h3-6,10,13H,7,12H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyCFWXGXOFGARPHG-JTQLQIEISA-N
XLogP-0.56
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-amino-2-methylpropyl]-4-(dimethylamino)benzenesulfonamide
CID 139490777
(2S)-2-amino-6-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]hexanoic acid
CID 101250685
N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide
CID 139492880
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 20962685
(2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 122069284
(2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 67154285
2-[[4-(dimethylamino)phenyl]sulfonylamino]hexanoic acid
CID 122070000
(2S)-2-amino-3-[2-methyl-5-(2-methylpropylsulfamoyl)phenyl]propanoic acid
CID 177279905
N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
CID 9031624
4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058890
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide
CID 7497879
[(1R)-1-[4-(dimethylamino)phenyl]-2-[(4-ethylphenyl)sulfonylamino]ethyl]-dimethylazanium
CID 7497827

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid (CID 67154200) is (2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid is CN(C)c1ccc(S(=O)(=O)NC[C@H](N)C(=O)O)cc1.
What is the InChIKey of (2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid?
The InChIKey is CFWXGXOFGARPHG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-14(2)8-3-5-9(6-4-8)19(17,18)13-7-10(12)11(15)16/h3-6,10,13H,7,12H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid?
(2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid has a molecular weight of 287.34 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid is sourced from PubChem (CID 67154200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).