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

C11H19N3O2S — CID 54947668

IUPAC1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCC(C)N(C)S(=O)(=O)Nc1ccccc1CN
InChIInChI=1S/C11H19N3O2S/c1-9(2)14(3)17(15,16)13-11-7-5-4-6-10(11)8-12/h4-7,9,13H,8,12H2,1-3H3
InChIKeyLPCSLMVTCMREFC-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.14
Rot. Bonds5

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

1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (PubChem CID 54947668) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.

Molecular Properties

Compound Name1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
PubChem CID54947668
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCC(C)N(C)S(=O)(=O)Nc1ccccc1CN
InChIInChI=1S/C11H19N3O2S/c1-9(2)14(3)17(15,16)13-11-7-5-4-6-10(11)8-12/h4-7,9,13H,8,12H2,1-3H3
InChIKeyLPCSLMVTCMREFC-UHFFFAOYSA-N
XLogP1.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid
CID 62536120
1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 62951963
1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455735
1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455736
2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide
CID 61453978
4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole
CID 79504575
1-(aminomethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-2-(trifluoromethyl)benzene
CID 65483179
N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 64697646
2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide
CID 63759564
N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide
CID 64698633
2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947886
N-[2-(aminomethyl)phenyl]methanesulfonamide;N-(2-cyanophenyl)methanesulfonamide
CID 69220738

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The IUPAC name of 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (CID 54947668) is 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.
What is the SMILES notation for 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The canonical SMILES for 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is CC(C)N(C)S(=O)(=O)Nc1ccccc1CN.
What is the InChIKey of 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The InChIKey is LPCSLMVTCMREFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(2)14(3)17(15,16)13-11-7-5-4-6-10(11)8-12/h4-7,9,13H,8,12H2,1-3H3.
What are the key properties of 1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene has a molecular weight of 257.36 g/mol, XLogP of 1.14, 5 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]benzene is sourced from PubChem (CID 54947668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).