1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene

C12H21N3O2S — CID 114813824

IUPAC1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene
SMILESCC(C)CNS(=O)(=O)N(C)c1ccc(CN)cc1
InChIInChI=1S/C12H21N3O2S/c1-10(2)9-14-18(16,17)15(3)12-6-4-11(8-13)5-7-12/h4-7,10,14H,8-9,13H2,1-3H3
InChIKeyAWMBGVUOWXKDEL-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.07
Rot. Bonds6

About 1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene

1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene (PubChem CID 114813824) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene.

Molecular Properties

Compound Name1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene
PubChem CID114813824
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene
SMILESCC(C)CNS(=O)(=O)N(C)c1ccc(CN)cc1
InChIInChI=1S/C12H21N3O2S/c1-10(2)9-14-18(16,17)15(3)12-6-4-11(8-13)5-7-12/h4-7,10,14H,8-9,13H2,1-3H3
InChIKeyAWMBGVUOWXKDEL-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene
CID 114814154
N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide
CID 117358329
1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene
CID 114813771
1-amino-4-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
CID 114814046
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272087
4-(aminomethyl)-N-(2-methylpropyl)aniline
CID 83962134
4-[[methyl(2-methylpropylsulfamoyl)amino]methyl]benzoic acid
CID 114814469
4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline
CID 114813992
1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
CID 114813844
4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43569588
1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
CID 114803642
N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene?
The IUPAC name of 1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene (CID 114813824) is 1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene.
What is the SMILES notation for 1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene?
The canonical SMILES for 1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene is CC(C)CNS(=O)(=O)N(C)c1ccc(CN)cc1.
What is the InChIKey of 1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene?
The InChIKey is AWMBGVUOWXKDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(2)9-14-18(16,17)15(3)12-6-4-11(8-13)5-7-12/h4-7,10,14H,8-9,13H2,1-3H3.
What are the key properties of 1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene?
1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene has a molecular weight of 271.39 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene is sourced from PubChem (CID 114813824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).