3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide

C10H16N4O4S — CID 106166710

IUPAC3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide
SMILESCNS(=O)(=O)c1ccc(N)c(NCC(O)C(N)=O)c1
InChIInChI=1S/C10H16N4O4S/c1-13-19(17,18)6-2-3-7(11)8(4-6)14-5-9(15)10(12)16/h2-4,9,13-15H,5,11H2,1H3,(H2,12,16)
InChIKeyFMFASZVYSWTJPD-UHFFFAOYSA-N
MW288.33 g/mol
LogP-1.57
Rot. Bonds6

About 3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide

3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide (PubChem CID 106166710) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide
PubChem CID106166710
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC Name3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide
SMILESCNS(=O)(=O)c1ccc(N)c(NCC(O)C(N)=O)c1
InChIInChI=1S/C10H16N4O4S/c1-13-19(17,18)6-2-3-7(11)8(4-6)14-5-9(15)10(12)16/h2-4,9,13-15H,5,11H2,1H3,(H2,12,16)
InChIKeyFMFASZVYSWTJPD-UHFFFAOYSA-N
XLogP-1.57
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-1.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide
CID 106166600
4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide
CID 107819850
4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 82901368
4-amino-3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166646
4-amino-N-methyl-3-(3-sulfamoylpropylamino)benzenesulfonamide
CID 82900018
4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 82899707
4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 106183615
4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814
4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
CID 82898084
4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide
CID 82902466
4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
CID 82901311
4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106007379

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide?
The IUPAC name of 3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide (CID 106166710) is 3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide?
The canonical SMILES for 3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide is CNS(=O)(=O)c1ccc(N)c(NCC(O)C(N)=O)c1.
What is the InChIKey of 3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide?
The InChIKey is FMFASZVYSWTJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-13-19(17,18)6-2-3-7(11)8(4-6)14-5-9(15)10(12)16/h2-4,9,13-15H,5,11H2,1H3,(H2,12,16).
What are the key properties of 3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide?
3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide has a molecular weight of 288.33 g/mol, XLogP of -1.57, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide is sourced from PubChem (CID 106166710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).