2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid

C11H17N3O4S — CID 114804778

IUPAC2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid
SMILESCCCNS(=O)(=O)N(CC(=O)O)c1ccccc1N
InChIInChI=1S/C11H17N3O4S/c1-2-7-13-19(17,18)14(8-11(15)16)10-6-4-3-5-9(10)12/h3-6,13H,2,7-8,12H2,1H3,(H,15,16)
InChIKeyMHXPJPZIFJCNSA-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.40
Rot. Bonds7

About 2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid

2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid (PubChem CID 114804778) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid
PubChem CID114804778
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid
SMILESCCCNS(=O)(=O)N(CC(=O)O)c1ccccc1N
InChIInChI=1S/C11H17N3O4S/c1-2-7-13-19(17,18)14(8-11(15)16)10-6-4-3-5-9(10)12/h3-6,13H,2,7-8,12H2,1H3,(H,15,16)
InChIKeyMHXPJPZIFJCNSA-UHFFFAOYSA-N
XLogP0.40
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-[2-hydroxyethyl(propylsulfamoyl)amino]benzene
CID 114804521
2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid
CID 114461718
2-(2-amino-N-butylsulfonylanilino)acetic acid
CID 55176952
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
2-(2-amino-N-pyrrolidin-1-ylsulfonylanilino)acetic acid
CID 63118246
2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid
CID 63118245
2-[2-amino-N-(2-propan-2-yloxyethylsulfonyl)anilino]acetic acid
CID 79592409
ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate
CID 114461695
3-(2-amino-N-[methyl(propan-2-yl)sulfamoyl]anilino)propanoic acid
CID 63118493
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene
CID 114804803
2-(2-amino-N-pentanoylanilino)acetic acid
CID 63118152

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid?
The IUPAC name of 2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid (CID 114804778) is 2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid?
The canonical SMILES for 2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid is CCCNS(=O)(=O)N(CC(=O)O)c1ccccc1N.
What is the InChIKey of 2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid?
The InChIKey is MHXPJPZIFJCNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-2-7-13-19(17,18)14(8-11(15)16)10-6-4-3-5-9(10)12/h3-6,13H,2,7-8,12H2,1H3,(H,15,16).
What are the key properties of 2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid?
2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid has a molecular weight of 287.34 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid is sourced from PubChem (CID 114804778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).