[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene

C13H23N3O2S — CID 115302718

IUPAC[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene
SMILESCNCC(C)CNS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H23N3O2S/c1-12(9-14-2)10-15-19(17,18)16(3)11-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyRWWMELXXRQJUEI-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.81
Rot. Bonds8

About [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene

[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene (PubChem CID 115302718) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene.

Molecular Properties

Compound Name[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene
PubChem CID115302718
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene
SMILESCNCC(C)CNS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H23N3O2S/c1-12(9-14-2)10-15-19(17,18)16(3)11-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyRWWMELXXRQJUEI-UHFFFAOYSA-N
XLogP0.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[benzyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 81066544
[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
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(2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid
CID 107835221
4-[[methyl(2-methylpropylsulfamoyl)amino]methyl]benzoic acid
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[2-methoxyethoxysulfamoyl(methyl)amino]methylbenzene
CID 82715155
[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
CID 79118112
[ethyl-[2-(methylamino)propylsulfamoyl]amino]methylbenzene;hydrochloride
CID 120825290
[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene
CID 62664041
[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 79256333
[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene
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[(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene
CID 65112961

Frequently Asked Questions

What is the IUPAC name of [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene?
The IUPAC name of [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene (CID 115302718) is [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene.
What is the SMILES notation for [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene?
The canonical SMILES for [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene is CNCC(C)CNS(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene?
The InChIKey is RWWMELXXRQJUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-12(9-14-2)10-15-19(17,18)16(3)11-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3.
What are the key properties of [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene?
[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene has a molecular weight of 285.41 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene is sourced from PubChem (CID 115302718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).