1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene

C13H23N3O2S — CID 114803642

IUPAC1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
SMILESCN(Cc1ccc(CN)cc1)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)15-19(17,18)16(4)10-12-7-5-11(9-14)6-8-12/h5-8,15H,9-10,14H2,1-4H3
InChIKeyLAUCPDAMCGKKLR-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.21
Rot. Bonds5

About 1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene

1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene (PubChem CID 114803642) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene.

Molecular Properties

Compound Name1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
PubChem CID114803642
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
SMILESCN(Cc1ccc(CN)cc1)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)15-19(17,18)16(4)10-12-7-5-11(9-14)6-8-12/h5-8,15H,9-10,14H2,1-4H3
InChIKeyLAUCPDAMCGKKLR-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
CID 114804346
1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 114958571
4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole
CID 114810124
[3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene
CID 63887406
1-[[tert-butylsulfamoyl(methyl)amino]methyl]-3-(3-hydroxyprop-1-ynyl)benzene
CID 114811844
[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 43501816
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene
CID 114804344
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine
CID 54939511
[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene
CID 62664041
N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide
CID 60921183

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene?
The IUPAC name of 1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene (CID 114803642) is 1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene.
What is the SMILES notation for 1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene?
The canonical SMILES for 1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene is CN(Cc1ccc(CN)cc1)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene?
The InChIKey is LAUCPDAMCGKKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-13(2,3)15-19(17,18)16(4)10-12-7-5-11(9-14)6-8-12/h5-8,15H,9-10,14H2,1-4H3.
What are the key properties of 1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene?
1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene has a molecular weight of 285.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene is sourced from PubChem (CID 114803642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).