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

C12H21N3O2S — CID 114804346

IUPAC1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
SMILESCN(Cc1ccc(N)cc1)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H21N3O2S/c1-12(2,3)14-18(16,17)15(4)9-10-5-7-11(13)8-6-10/h5-8,14H,9,13H2,1-4H3
InChIKeyFNQZKNNEFACAAH-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.33
Rot. Bonds4

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

1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene (PubChem CID 114804346) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene.

Molecular Properties

Compound Name1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
PubChem CID114804346
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
SMILESCN(Cc1ccc(N)cc1)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H21N3O2S/c1-12(2,3)14-18(16,17)15(4)9-10-5-7-11(13)8-6-10/h5-8,14H,9,13H2,1-4H3
InChIKeyFNQZKNNEFACAAH-UHFFFAOYSA-N
XLogP1.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
CID 114803642
1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene
CID 114804344
4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole
CID 114810124
[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 43501816
[3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene
CID 63887406
1-amino-4-[[propan-2-yl(propan-2-ylsulfamoyl)amino]methyl]benzene
CID 114804388
1-amino-4-[[ethylsulfamoyl(propan-2-yl)amino]methyl]benzene
CID 114804386
1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide
CID 43576201
1-[[tert-butylsulfamoyl(methyl)amino]methyl]-3-(3-hydroxyprop-1-ynyl)benzene
CID 114811844
4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 60917459
1,1-bis[(4-aminophenyl)methyl]-3-tert-butylurea
CID 139577324
1-[[[(3S)-3-aminobutyl]sulfamoyl-methylamino]methyl]-4-chlorobenzene
CID 100655569

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene?
The IUPAC name of 1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene (CID 114804346) is 1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene.
What is the SMILES notation for 1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene?
The canonical SMILES for 1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene is CN(Cc1ccc(N)cc1)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene?
The InChIKey is FNQZKNNEFACAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-12(2,3)14-18(16,17)15(4)9-10-5-7-11(13)8-6-10/h5-8,14H,9,13H2,1-4H3.
What are the key properties of 1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene?
1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene has a molecular weight of 271.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene is sourced from PubChem (CID 114804346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).