2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate

C10H16N4O4S — CID 83202387

IUPAC2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate
SMILESCNS(=O)(=O)c1ccc(NCCOC(N)=O)cc1N
InChIInChI=1S/C10H16N4O4S/c1-13-19(16,17)9-3-2-7(6-8(9)11)14-4-5-18-10(12)15/h2-3,6,13-14H,4-5,11H2,1H3,(H2,12,15)
InChIKeyRZIUDDMQZVODMP-UHFFFAOYSA-N
MW288.33 g/mol
LogP-0.32
Rot. Bonds6

About 2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate

2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate (PubChem CID 83202387) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate.

Molecular Properties

Compound Name2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate
PubChem CID83202387
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC Name2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate
SMILESCNS(=O)(=O)c1ccc(NCCOC(N)=O)cc1N
InChIInChI=1S/C10H16N4O4S/c1-13-19(16,17)9-3-2-7(6-8(9)11)14-4-5-18-10(12)15/h2-3,6,13-14H,4-5,11H2,1H3,(H2,12,15)
InChIKeyRZIUDDMQZVODMP-UHFFFAOYSA-N
XLogP-0.32
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 80645934
2-amino-4-(4-methoxybutylamino)-N-methylbenzenesulfonamide
CID 80646158
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
2-(4-amino-3-methylanilino)ethyl carbamate
CID 83201975
2-amino-N-methyl-4-(3-propoxypropylamino)benzenesulfonamide
CID 82942729
2-amino-N-methyl-4-(octylamino)benzenesulfonamide
CID 115566200
2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide
CID 80646159
2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 80646367
2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide
CID 106234450
2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide
CID 106007200
2-amino-4-(2-methoxyethylamino)benzenesulfonamide
CID 79467385
2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide
CID 80642093

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate?
The IUPAC name of 2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate (CID 83202387) is 2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate.
What is the SMILES notation for 2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate?
The canonical SMILES for 2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate is CNS(=O)(=O)c1ccc(NCCOC(N)=O)cc1N.
What is the InChIKey of 2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate?
The InChIKey is RZIUDDMQZVODMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-13-19(16,17)9-3-2-7(6-8(9)11)14-4-5-18-10(12)15/h2-3,6,13-14H,4-5,11H2,1H3,(H2,12,15).
What are the key properties of 2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate?
2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate has a molecular weight of 288.33 g/mol, XLogP of -0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate is sourced from PubChem (CID 83202387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).