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

C14H25N3O2S — CID 94025295

IUPAC[methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene
SMILESCC(C)N(C)S(=O)(=O)NC[C@@H](C)N(C)c1ccccc1
InChIInChI=1S/C14H25N3O2S/c1-12(2)17(5)20(18,19)15-11-13(3)16(4)14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3/t13-/m1/s1
InChIKeyJXAFTOWOMMNFLE-CYBMUJFWSA-N
MW299.44 g/mol
LogP1.69
Rot. Bonds7

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

[methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene (PubChem CID 94025295) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is [methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene.

Molecular Properties

Compound Name[methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene
PubChem CID94025295
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name[methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene
SMILESCC(C)N(C)S(=O)(=O)NC[C@@H](C)N(C)c1ccccc1
InChIInChI=1S/C14H25N3O2S/c1-12(2)17(5)20(18,19)15-11-13(3)16(4)14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3/t13-/m1/s1
InChIKeyJXAFTOWOMMNFLE-CYBMUJFWSA-N
XLogP1.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 61453712
[(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene
CID 124880364
[(2R,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene
CID 124880366
6-amino-5-methyl-N-[2-(N-methylanilino)propyl]pyridine-3-sulfonamide
CID 146149401
3-(N-methylanilino)butanoic acid
CID 72755664
N-[(2R)-2-(N-methylanilino)propyl]cyclopropanecarboxamide
CID 94119244
1-(aminomethyl)-2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 62951963
4-(N-methylanilino)pentan-2-one
CID 64697699
N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55721364
1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine
CID 75493772
[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 55151705
2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814529

Frequently Asked Questions

What is the IUPAC name of [methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene?
The IUPAC name of [methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene (CID 94025295) is [methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene.
What is the SMILES notation for [methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene?
The canonical SMILES for [methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene is CC(C)N(C)S(=O)(=O)NC[C@@H](C)N(C)c1ccccc1.
What is the InChIKey of [methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene?
The InChIKey is JXAFTOWOMMNFLE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-12(2)17(5)20(18,19)15-11-13(3)16(4)14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3/t13-/m1/s1.
What are the key properties of [methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene?
[methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene has a molecular weight of 299.44 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[(2R)-1-[[methyl(propan-2-yl)sulfamoyl]amino]propan-2-yl]amino]benzene is sourced from PubChem (CID 94025295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).