N,N'-bis[3-(diethylamino)propyl]methanedisulfonamide

C15H36N4O4S2 — CID 58113233

IUPACN,N'-bis[3-(diethylamino)propyl]methanedisulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)CS(=O)(=O)NCCCN(CC)CC
InChIInChI=1S/C15H36N4O4S2/c1-5-18(6-2)13-9-11-16-24(20,21)15-25(22,23)17-12-10-14-19(7-3)8-4/h16-17H,5-15H2,1-4H3
InChIKeySOEJXYHDWRNAJJ-UHFFFAOYSA-N
MW400.61 g/mol
LogP0.25
Rot. Bonds16

About N,N'-bis[3-(diethylamino)propyl]methanedisulfonamide

N,N'-bis[3-(diethylamino)propyl]methanedisulfonamide (PubChem CID 58113233) has the molecular formula C15H36N4O4S2 and a molecular weight of 400.61 g/mol. Its IUPAC name is N,N'-bis[3-(diethylamino)propyl]methanedisulfonamide.

Molecular Properties

Compound NameN,N'-bis[3-(diethylamino)propyl]methanedisulfonamide
PubChem CID58113233
Molecular FormulaC15H36N4O4S2
Molecular Weight400.61 g/mol
Exact Mass400.22
IUPAC NameN,N'-bis[3-(diethylamino)propyl]methanedisulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)CS(=O)(=O)NCCCN(CC)CC
InChIInChI=1S/C15H36N4O4S2/c1-5-18(6-2)13-9-11-16-24(20,21)15-25(22,23)17-12-10-14-19(7-3)8-4/h16-17H,5-15H2,1-4H3
InChIKeySOEJXYHDWRNAJJ-UHFFFAOYSA-N
XLogP0.25
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine
CID 53320822
N-(3-aminopropyl)-N-ethylmethanesulfonamide
CID 23010540
H3N3MsN
CID 102047164
Methanesulfonamide, N-[3-(diethylamino)propyl]-
CID 3330231
N-[3-[4-[3-(methanesulfonamido)propyl]piperazin-1-yl]propyl]methanesulfonamide
CID 3435714
N-[3-(dimethylamino)propyl]methanesulfonamide
CID 4649199
3-(Methanesulfonamido)propyl-trimethylazanium
CID 18725235
1-(Dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane
CID 20665351
3-(Dimethylamino)propylsulfamoylmethanesulfonic acid
CID 20665353
3-(Diethylamino)propylsulfamoylmethanesulfonic acid
CID 21049568
N-[3-(dibutylamino)propyl]methanesulfonamide
CID 23573808
N,N'-bis[3-(dibutylamino)propyl]methanedisulfonamide
CID 58113246

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(diethylamino)propyl]methanedisulfonamide?
The IUPAC name of N,N'-bis[3-(diethylamino)propyl]methanedisulfonamide (CID 58113233) is N,N'-bis[3-(diethylamino)propyl]methanedisulfonamide.
What is the SMILES notation for N,N'-bis[3-(diethylamino)propyl]methanedisulfonamide?
The canonical SMILES for N,N'-bis[3-(diethylamino)propyl]methanedisulfonamide is CCN(CC)CCCNS(=O)(=O)CS(=O)(=O)NCCCN(CC)CC.
What is the InChIKey of N,N'-bis[3-(diethylamino)propyl]methanedisulfonamide?
The InChIKey is SOEJXYHDWRNAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N4O4S2/c1-5-18(6-2)13-9-11-16-24(20,21)15-25(22,23)17-12-10-14-19(7-3)8-4/h16-17H,5-15H2,1-4H3.
What are the key properties of N,N'-bis[3-(diethylamino)propyl]methanedisulfonamide?
N,N'-bis[3-(diethylamino)propyl]methanedisulfonamide has a molecular weight of 400.61 g/mol, XLogP of 0.25, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(diethylamino)propyl]methanedisulfonamide is sourced from PubChem (CID 58113233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).