1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene

C14H25N3O2S — CID 114813844

IUPAC1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
SMILESCCN(Cc1ccccc1CN)S(=O)(=O)NCC(C)C
InChIInChI=1S/C14H25N3O2S/c1-4-17(20(18,19)16-10-12(2)3)11-14-8-6-5-7-13(14)9-15/h5-8,12,16H,4,9-11,15H2,1-3H3
InChIKeyOSVFHJLMWFDZSU-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.46
Rot. Bonds8

About 1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene

1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene (PubChem CID 114813844) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene.

Molecular Properties

Compound Name1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
PubChem CID114813844
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
SMILESCCN(Cc1ccccc1CN)S(=O)(=O)NCC(C)C
InChIInChI=1S/C14H25N3O2S/c1-4-17(20(18,19)16-10-12(2)3)11-14-8-6-5-7-13(14)9-15/h5-8,12,16H,4,9-11,15H2,1-3H3
InChIKeyOSVFHJLMWFDZSU-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
CID 114814046
1-(diethylsulfamoylamino)-2-methylpropane
CID 60708093
[ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride
CID 120825290
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide
CID 55009541
1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 62951963
2-(aminomethyl)-N,N-diethylbenzenesulfonamide
CID 16783834
N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine
CID 175214401
N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001809
N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine
CID 43272646
azane;[2-(2-methylpropyl)phenyl]methanamine
CID 174953175
3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814475
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79482199

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene?
The IUPAC name of 1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene (CID 114813844) is 1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene.
What is the SMILES notation for 1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene?
The canonical SMILES for 1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene is CCN(Cc1ccccc1CN)S(=O)(=O)NCC(C)C.
What is the InChIKey of 1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene?
The InChIKey is OSVFHJLMWFDZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-17(20(18,19)16-10-12(2)3)11-14-8-6-5-7-13(14)9-15/h5-8,12,16H,4,9-11,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene?
1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene has a molecular weight of 299.44 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene is sourced from PubChem (CID 114813844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).