[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene

C12H21N3O2S — CID 62664041

IUPAC[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene
SMILESCCNCCNS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C12H21N3O2S/c1-3-13-9-10-14-18(16,17)15(2)11-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3
InChIKeyQOQPEPPCBNOBJA-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.56
Rot. Bonds8

About [2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene

[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene (PubChem CID 62664041) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is [2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene.

Molecular Properties

Compound Name[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene
PubChem CID62664041
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene
SMILESCCNCCNS(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C12H21N3O2S/c1-3-13-9-10-14-18(16,17)15(2)11-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3
InChIKeyQOQPEPPCBNOBJA-UHFFFAOYSA-N
XLogP0.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.56
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

[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
CID 62659313
[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene
CID 107319507
[(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene
CID 65112961
[3-(aminomethyl)pentan-3-ylsulfamoyl-methylamino]methylbenzene
CID 63887406
[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene
CID 115302718
(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
[1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene
CID 65193127

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene?
The IUPAC name of [2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene (CID 62664041) is [2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene.
What is the SMILES notation for [2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene?
The canonical SMILES for [2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene is CCNCCNS(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of [2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene?
The InChIKey is QOQPEPPCBNOBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-13-9-10-14-18(16,17)15(2)11-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3.
What are the key properties of [2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene?
[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene has a molecular weight of 271.39 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene is sourced from PubChem (CID 62664041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).