2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid

C10H15N3O4S — CID 107116230

IUPAC2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
SMILESCN(C)S(=O)(=O)c1cccc(NCC(=O)O)c1N
InChIInChI=1S/C10H15N3O4S/c1-13(2)18(16,17)8-5-3-4-7(10(8)11)12-6-9(14)15/h3-5,12H,6,11H2,1-2H3,(H,14,15)
InChIKeyKBJXFQSRQAXBEN-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.02
Rot. Bonds5

About 2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid

2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid (PubChem CID 107116230) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
PubChem CID107116230
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
SMILESCN(C)S(=O)(=O)c1cccc(NCC(=O)O)c1N
InChIInChI=1S/C10H15N3O4S/c1-13(2)18(16,17)8-5-3-4-7(10(8)11)12-6-9(14)15/h3-5,12H,6,11H2,1-2H3,(H,14,15)
InChIKeyKBJXFQSRQAXBEN-UHFFFAOYSA-N
XLogP0.02
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzenesulfonamide
CID 107116582
2-amino-3-[(2-ethyl-2-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116413
2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 107116285
2-amino-N,N-dimethyl-3-(3-methylsulfonylpropylamino)benzenesulfonamide
CID 107116170
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613
3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide
CID 106095636
2-[2-amino-3-(dimethylsulfamoyl)anilino]propanamide
CID 107115830
2-amino-3-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 107116415
2-(2-amino-3-chloroanilino)acetic acid
CID 104834433
2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide
CID 107115709
2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide
CID 107115684
2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 107116325

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid?
The IUPAC name of 2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid (CID 107116230) is 2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid?
The canonical SMILES for 2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid is CN(C)S(=O)(=O)c1cccc(NCC(=O)O)c1N.
What is the InChIKey of 2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid?
The InChIKey is KBJXFQSRQAXBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-13(2)18(16,17)8-5-3-4-7(10(8)11)12-6-9(14)15/h3-5,12H,6,11H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid?
2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid has a molecular weight of 273.31 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid is sourced from PubChem (CID 107116230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).