N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine

C13H32N4O2S — CID 102998612

IUPACN'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine
SMILESCCNCCCN(C)S(=O)(=O)N(CC)CCCN(C)C
InChIInChI=1S/C13H32N4O2S/c1-6-14-10-8-12-16(5)20(18,19)17(7-2)13-9-11-15(3)4/h14H,6-13H2,1-5H3
InChIKeyJIKWWTPXUCWCMC-UHFFFAOYSA-N
MW308.49 g/mol
LogP0.44
Rot. Bonds12

About N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine

N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine (PubChem CID 102998612) has the molecular formula C13H32N4O2S and a molecular weight of 308.49 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine
PubChem CID102998612
Molecular FormulaC13H32N4O2S
Molecular Weight308.49 g/mol
Exact Mass308.22
IUPAC NameN'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine
SMILESCCNCCCN(C)S(=O)(=O)N(CC)CCCN(C)C
InChIInChI=1S/C13H32N4O2S/c1-6-14-10-8-12-16(5)20(18,19)17(7-2)13-9-11-15(3)4/h14H,6-13H2,1-5H3
InChIKeyJIKWWTPXUCWCMC-UHFFFAOYSA-N
XLogP0.44
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(dimethylamino)propyl-ethylsulfamoyl]-methylamino]propan-1-ol
CID 102998470
N-[3-(dimethylamino)propyl]-2-(ethylamino)-N-methylethanesulfonamide
CID 63699218
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide
CID 102998606
N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 112667469
N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride
CID 102992224
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine
CID 112667380
N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190616
N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide
CID 102998608
1-bromo-N-[3-(dimethylamino)propyl]-N-ethylmethanesulfonamide
CID 102995887
N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide
CID 65093412
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine (CID 102998612) is N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine is CCNCCCN(C)S(=O)(=O)N(CC)CCCN(C)C.
What is the InChIKey of N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine?
The InChIKey is JIKWWTPXUCWCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N4O2S/c1-6-14-10-8-12-16(5)20(18,19)17(7-2)13-9-11-15(3)4/h14H,6-13H2,1-5H3.
What are the key properties of N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine?
N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine has a molecular weight of 308.49 g/mol, XLogP of 0.44, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 102998612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).