1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene

C12H21N3O2S — CID 62951963

IUPAC1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
SMILESCC(C)N(C)S(=O)(=O)NCc1ccccc1CN
InChIInChI=1S/C12H21N3O2S/c1-10(2)15(3)18(16,17)14-9-12-7-5-4-6-11(12)8-13/h4-7,10,14H,8-9,13H2,1-3H3
InChIKeyALVAGHOJBTZSKM-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.82
Rot. Bonds6

About 1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene

1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene (PubChem CID 62951963) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene.

Molecular Properties

Compound Name1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
PubChem CID62951963
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
SMILESCC(C)N(C)S(=O)(=O)NCc1ccccc1CN
InChIInChI=1S/C12H21N3O2S/c1-10(2)15(3)18(16,17)14-9-12-7-5-4-6-11(12)8-13/h4-7,10,14H,8-9,13H2,1-3H3
InChIKeyALVAGHOJBTZSKM-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947668
N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
CID 62949532
7-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1,3-benzothiazole
CID 164690285
propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate
CID 114464725
[1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 61453712
1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
CID 114813844
1-(chloromethyl)-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 65032301
[methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene
CID 94025295
1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene
CID 103110527
[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 55151705
N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide
CID 64989311
1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene
CID 54952251

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene?
The IUPAC name of 1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene (CID 62951963) is 1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene.
What is the SMILES notation for 1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene?
The canonical SMILES for 1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene is CC(C)N(C)S(=O)(=O)NCc1ccccc1CN.
What is the InChIKey of 1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene?
The InChIKey is ALVAGHOJBTZSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(2)15(3)18(16,17)14-9-12-7-5-4-6-11(12)8-13/h4-7,10,14H,8-9,13H2,1-3H3.
What are the key properties of 1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene?
1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene has a molecular weight of 271.39 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene is sourced from PubChem (CID 62951963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).