[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene

C11H19N3O2S — CID 62659313

IUPAC[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
SMILESCNCCNS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C11H19N3O2S/c1-12-8-9-13-17(15,16)14(2)10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3
InChIKeyPNCHUDUAEQWAKW-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.17
Rot. Bonds7

About [methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene

[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene (PubChem CID 62659313) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is [methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene.

Molecular Properties

Compound Name[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
PubChem CID62659313
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
SMILESCNCCNS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C11H19N3O2S/c1-12-8-9-13-17(15,16)14(2)10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3
InChIKeyPNCHUDUAEQWAKW-UHFFFAOYSA-N
XLogP0.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene
CID 62664041
[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene
CID 107319507
[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene
CID 115302718
[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
CID 79118112
[2-methoxyethoxysulfamoyl(methyl)amino]methylbenzene
CID 82715155
[(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene
CID 65112961
(2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid
CID 107835221
2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
CID 65220733
4-[[benzyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 81066544
[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 43501816
N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine
CID 148954390
1-[[[(3S)-3-aminobutyl]sulfamoyl-methylamino]methyl]-4-chlorobenzene
CID 100655569

Frequently Asked Questions

What is the IUPAC name of [methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene?
The IUPAC name of [methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene (CID 62659313) is [methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene.
What is the SMILES notation for [methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene?
The canonical SMILES for [methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene is CNCCNS(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of [methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene?
The InChIKey is PNCHUDUAEQWAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-12-8-9-13-17(15,16)14(2)10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3.
What are the key properties of [methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene?
[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene has a molecular weight of 257.36 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene is sourced from PubChem (CID 62659313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).