[2-aminoethyl(propylsulfamoyl)amino]methylbenzene

C12H21N3O2S — CID 114803646

IUPAC[2-aminoethyl(propylsulfamoyl)amino]methylbenzene
SMILESCCCNS(=O)(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C12H21N3O2S/c1-2-9-14-18(16,17)15(10-8-13)11-12-6-4-3-5-7-12/h3-7,14H,2,8-11,13H2,1H3
InChIKeyWZKOMRLJTJKSJR-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.69
Rot. Bonds8

About [2-aminoethyl(propylsulfamoyl)amino]methylbenzene

[2-aminoethyl(propylsulfamoyl)amino]methylbenzene (PubChem CID 114803646) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is [2-aminoethyl(propylsulfamoyl)amino]methylbenzene.

Molecular Properties

Compound Name[2-aminoethyl(propylsulfamoyl)amino]methylbenzene
PubChem CID114803646
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name[2-aminoethyl(propylsulfamoyl)amino]methylbenzene
SMILESCCCNS(=O)(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C12H21N3O2S/c1-2-9-14-18(16,17)15(10-8-13)11-12-6-4-3-5-7-12/h3-7,14H,2,8-11,13H2,1H3
InChIKeyWZKOMRLJTJKSJR-UHFFFAOYSA-N
XLogP0.69
TPSA75.43 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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine
CID 61013839
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
ethyl N-[3-aminopropyl(benzyl)sulfamoyl]carbamate
CID 107366642
3-[propylsulfamoyl(pyridin-3-ylmethyl)amino]propanimidamide
CID 114813470
N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride
CID 120584154
2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide
CID 114804431
N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 63766951
1-amino-2-[[2-aminoethyl(ethyl)sulfamoyl]amino]ethane
CID 155056416
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N,N-dibenzylpropane-1-sulfonamide
CID 60642874
[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene
CID 62664041
N-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide
CID 167986682

Frequently Asked Questions

What is the IUPAC name of [2-aminoethyl(propylsulfamoyl)amino]methylbenzene?
The IUPAC name of [2-aminoethyl(propylsulfamoyl)amino]methylbenzene (CID 114803646) is [2-aminoethyl(propylsulfamoyl)amino]methylbenzene.
What is the SMILES notation for [2-aminoethyl(propylsulfamoyl)amino]methylbenzene?
The canonical SMILES for [2-aminoethyl(propylsulfamoyl)amino]methylbenzene is CCCNS(=O)(=O)N(CCN)Cc1ccccc1.
What is the InChIKey of [2-aminoethyl(propylsulfamoyl)amino]methylbenzene?
The InChIKey is WZKOMRLJTJKSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-9-14-18(16,17)15(10-8-13)11-12-6-4-3-5-7-12/h3-7,14H,2,8-11,13H2,1H3.
What are the key properties of [2-aminoethyl(propylsulfamoyl)amino]methylbenzene?
[2-aminoethyl(propylsulfamoyl)amino]methylbenzene has a molecular weight of 271.39 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-aminoethyl(propylsulfamoyl)amino]methylbenzene is sourced from PubChem (CID 114803646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).