N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine

C14H25N3O2S — CID 43318680

IUPACN'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine
SMILESCCN(CC)S(=O)(=O)N(CCCN)c1ccc(C)cc1
InChIInChI=1S/C14H25N3O2S/c1-4-16(5-2)20(18,19)17(12-6-11-15)14-9-7-13(3)8-10-14/h7-10H,4-6,11-12,15H2,1-3H3
InChIKeyPHUGURKZJLPJGK-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.74
Rot. Bonds8

About N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine

N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine (PubChem CID 43318680) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine
PubChem CID43318680
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine
SMILESCCN(CC)S(=O)(=O)N(CCCN)c1ccc(C)cc1
InChIInChI=1S/C14H25N3O2S/c1-4-16(5-2)20(18,19)17(12-6-11-15)14-9-7-13(3)8-10-14/h7-10H,4-6,11-12,15H2,1-3H3
InChIKeyPHUGURKZJLPJGK-UHFFFAOYSA-N
XLogP1.74
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine
CID 43135973
N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide
CID 60859443
N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide
CID 63245939
4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine
CID 63233725
N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 60912336
N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide
CID 104709257
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine
CID 43136067
N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine
CID 61456100
N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide
CID 60859587
[3-aminopropyl(sulfamoyl)amino]benzene
CID 115580045
N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912475

Frequently Asked Questions

What is the IUPAC name of N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine (CID 43318680) is N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine is CCN(CC)S(=O)(=O)N(CCCN)c1ccc(C)cc1.
What is the InChIKey of N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is PHUGURKZJLPJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-16(5-2)20(18,19)17(12-6-11-15)14-9-7-13(3)8-10-14/h7-10H,4-6,11-12,15H2,1-3H3.
What are the key properties of N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine?
N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 299.44 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 43318680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).