4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline

C10H17N3O3S — CID 114804139

IUPAC4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline
SMILESCCNS(=O)(=O)Nc1ccc(CN)cc1OC
InChIInChI=1S/C10H17N3O3S/c1-3-12-17(14,15)13-9-5-4-8(7-11)6-10(9)16-2/h4-6,12-13H,3,7,11H2,1-2H3
InChIKeyIELLTYILZORMOT-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.42
Rot. Bonds6

About 4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline

4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline (PubChem CID 114804139) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline
PubChem CID114804139
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline
SMILESCCNS(=O)(=O)Nc1ccc(CN)cc1OC
InChIInChI=1S/C10H17N3O3S/c1-3-12-17(14,15)13-9-5-4-8(7-11)6-10(9)16-2/h4-6,12-13H,3,7,11H2,1-2H3
InChIKeyIELLTYILZORMOT-UHFFFAOYSA-N
XLogP0.42
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline
CID 114813992
4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline
CID 114804141
N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide
CID 113460263
N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 104847775
N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide
CID 104847754
N'-[(2,4-dimethoxyphenyl)sulfamoyl]ethane-1,2-diamine
CID 84760955
5-(aminomethyl)-N-(ethylsulfamoyl)pyridin-2-amine
CID 114803951
3-[4-(aminomethyl)-2-methoxyphenyl]-1,1-diethylurea
CID 104848503
N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide
CID 104847766
1-[4-(aminomethyl)-2-methoxyphenyl]-3-tert-butylurea
CID 113460330
N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide
CID 107702112
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline?
The IUPAC name of 4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline (CID 114804139) is 4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline?
The canonical SMILES for 4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline is CCNS(=O)(=O)Nc1ccc(CN)cc1OC.
What is the InChIKey of 4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline?
The InChIKey is IELLTYILZORMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-3-12-17(14,15)13-9-5-4-8(7-11)6-10(9)16-2/h4-6,12-13H,3,7,11H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline?
4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline has a molecular weight of 259.33 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline is sourced from PubChem (CID 114804139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).