1-(aminomethyl)-3-(diethylsulfamoylamino)benzene

C11H19N3O2S — CID 28783219

IUPAC1-(aminomethyl)-3-(diethylsulfamoylamino)benzene
SMILESCCN(CC)S(=O)(=O)Nc1cccc(CN)c1
InChIInChI=1S/C11H19N3O2S/c1-3-14(4-2)17(15,16)13-11-7-5-6-10(8-11)9-12/h5-8,13H,3-4,9,12H2,1-2H3
InChIKeyBZYXZSBLJQIYFU-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.14
Rot. Bonds6

About 1-(aminomethyl)-3-(diethylsulfamoylamino)benzene

1-(aminomethyl)-3-(diethylsulfamoylamino)benzene (PubChem CID 28783219) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(aminomethyl)-3-(diethylsulfamoylamino)benzene.

Molecular Properties

Compound Name1-(aminomethyl)-3-(diethylsulfamoylamino)benzene
PubChem CID28783219
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(aminomethyl)-3-(diethylsulfamoylamino)benzene
SMILESCCN(CC)S(=O)(=O)Nc1cccc(CN)c1
InChIInChI=1S/C11H19N3O2S/c1-3-14(4-2)17(15,16)13-11-7-5-6-10(8-11)9-12/h5-8,13H,3-4,9,12H2,1-2H3
InChIKeyBZYXZSBLJQIYFU-UHFFFAOYSA-N
XLogP1.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-3-(diethylsulfamoylamino)benzene 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

N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
1-cyano-3-(diethylsulfamoylamino)benzene
CID 28785061
3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline
CID 114803317
1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene
CID 54936307
2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide
CID 43369739
1-(2-aminopropyl)-3-(dimethylsulfamoylamino)benzene
CID 21327409
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
1-(diethylsulfamoylamino)-4-(methylamino)benzene
CID 43604119
N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
CID 63254779
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide
CID 63254732
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-(diethylsulfamoylamino)benzene?
The IUPAC name of 1-(aminomethyl)-3-(diethylsulfamoylamino)benzene (CID 28783219) is 1-(aminomethyl)-3-(diethylsulfamoylamino)benzene.
What is the SMILES notation for 1-(aminomethyl)-3-(diethylsulfamoylamino)benzene?
The canonical SMILES for 1-(aminomethyl)-3-(diethylsulfamoylamino)benzene is CCN(CC)S(=O)(=O)Nc1cccc(CN)c1.
What is the InChIKey of 1-(aminomethyl)-3-(diethylsulfamoylamino)benzene?
The InChIKey is BZYXZSBLJQIYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-14(4-2)17(15,16)13-11-7-5-6-10(8-11)9-12/h5-8,13H,3-4,9,12H2,1-2H3.
What are the key properties of 1-(aminomethyl)-3-(diethylsulfamoylamino)benzene?
1-(aminomethyl)-3-(diethylsulfamoylamino)benzene has a molecular weight of 257.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-(diethylsulfamoylamino)benzene is sourced from PubChem (CID 28783219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).