N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline

C11H19N3O3S — CID 114815993

IUPACN-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline
SMILESCNCc1ccccc1NS(=O)(=O)NCCOC
InChIInChI=1S/C11H19N3O3S/c1-12-9-10-5-3-4-6-11(10)14-18(15,16)13-7-8-17-2/h3-6,12-14H,7-9H2,1-2H3
InChIKeyOEUQPWIOUUULHA-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.30
Rot. Bonds8

About N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline

N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline (PubChem CID 114815993) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline
PubChem CID114815993
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline
SMILESCNCc1ccccc1NS(=O)(=O)NCCOC
InChIInChI=1S/C11H19N3O3S/c1-12-9-10-5-3-4-6-11(10)14-18(15,16)13-7-8-17-2/h3-6,12-14H,7-9H2,1-2H3
InChIKeyOEUQPWIOUUULHA-UHFFFAOYSA-N
XLogP0.30
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
CID 114815185
3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide
CID 114816608
2-chloro-6-(2-methoxyethylsulfamoylamino)phenol
CID 114815567
N'-[(2-ethylphenyl)sulfamoyl]ethane-1,2-diamine
CID 84760891
3-(2-methoxyethylsulfamoylamino)-4-methylbenzonitrile
CID 114815107
3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile
CID 114815180
N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106087001
5-fluoro-2-(2-methoxyethylsulfamoylamino)benzonitrile
CID 114815174
2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606132
N-methyl-2-(methylaminomethyl)aniline
CID 576504
2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816573
4-(3-aminoprop-1-ynyl)-2-ethyl-N-(2-methoxyethylsulfamoyl)aniline
CID 114816553

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline?
The IUPAC name of N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline (CID 114815993) is N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline.
What is the SMILES notation for N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline?
The canonical SMILES for N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline is CNCc1ccccc1NS(=O)(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline?
The InChIKey is OEUQPWIOUUULHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-12-9-10-5-3-4-6-11(10)14-18(15,16)13-7-8-17-2/h3-6,12-14H,7-9H2,1-2H3.
What are the key properties of N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline?
N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline has a molecular weight of 273.36 g/mol, XLogP of 0.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylsulfamoyl)-2-(methylaminomethyl)aniline is sourced from PubChem (CID 114815993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).