N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine

C13H23N3O2S — CID 61013839

IUPACN'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine
SMILESCCN(CC)S(=O)(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C13H23N3O2S/c1-3-15(4-2)19(17,18)16(11-10-14)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12,14H2,1-2H3
InChIKeyHECXOFATEUFZAN-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.03
Rot. Bonds8

About N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine

N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine (PubChem CID 61013839) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine
PubChem CID61013839
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine
SMILESCCN(CC)S(=O)(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C13H23N3O2S/c1-3-15(4-2)19(17,18)16(11-10-14)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12,14H2,1-2H3
InChIKeyHECXOFATEUFZAN-UHFFFAOYSA-N
XLogP1.03
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895421
[2-aminoethyl(propylsulfamoyl)amino]methylbenzene
CID 114803646
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride
CID 120584154
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N-(2-aminoethyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 120584267
N-benzyl-N-ethylethenesulfonamide
CID 130543897
N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane
CID 91216358
N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine
CID 43135973
N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide
CID 61013841

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine (CID 61013839) is N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine is CCN(CC)S(=O)(=O)N(CCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine?
The InChIKey is HECXOFATEUFZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-15(4-2)19(17,18)16(11-10-14)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12,14H2,1-2H3.
What are the key properties of N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine?
N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine has a molecular weight of 285.41 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine is sourced from PubChem (CID 61013839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).