methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate

C11H17N3O4S — CID 114461560

IUPACmethyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate
SMILESCCN(Cc1cccc(N)c1)S(=O)(=O)NC(=O)OC
InChIInChI=1S/C11H17N3O4S/c1-3-14(19(16,17)13-11(15)18-2)8-9-5-4-6-10(12)7-9/h4-7H,3,8,12H2,1-2H3,(H,13,15)
InChIKeyAYCQQOVSCWSXEV-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.69
Rot. Bonds5

About methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate

methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate (PubChem CID 114461560) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate
PubChem CID114461560
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Namemethyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate
SMILESCCN(Cc1cccc(N)c1)S(=O)(=O)NC(=O)OC
InChIInChI=1S/C11H17N3O4S/c1-3-14(19(16,17)13-11(15)18-2)8-9-5-4-6-10(12)7-9/h4-7H,3,8,12H2,1-2H3,(H,13,15)
InChIKeyAYCQQOVSCWSXEV-UHFFFAOYSA-N
XLogP0.69
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[1-(3-aminophenyl)ethyl-methylsulfamoyl]carbamate
CID 114461600
2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide
CID 114804431
N-[(3-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-sulfonamide
CID 43459044
2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide
CID 43461206
methyl 3-[(3-aminophenyl)methyl-methylsulfamoyl]propanoate
CID 61458585
N-[(3-aminophenyl)methyl]-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911327
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
N-[(3-aminophenyl)methyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413803
1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene
CID 114804340
2-[(3-aminophenyl)methyl-(2-ethoxyethylsulfonyl)amino]acetamide
CID 63246039
methyl 4-[(3-aminophenyl)methyl-methylsulfamoyl]butanoate
CID 61457700
ethyl 2-[(3-aminophenyl)methylsulfonylamino]acetate
CID 60812498

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate?
The IUPAC name of methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate (CID 114461560) is methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate?
The canonical SMILES for methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate is CCN(Cc1cccc(N)c1)S(=O)(=O)NC(=O)OC.
What is the InChIKey of methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate?
The InChIKey is AYCQQOVSCWSXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-3-14(19(16,17)13-11(15)18-2)8-9-5-4-6-10(12)7-9/h4-7H,3,8,12H2,1-2H3,(H,13,15).
What are the key properties of methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate?
methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate has a molecular weight of 287.34 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate is sourced from PubChem (CID 114461560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).