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

C23H52N4O4S2 — CID 58113246

IUPACN,N'-bis[3-(dibutylamino)propyl]methanedisulfonamide
SMILESCCCCN(CCCC)CCCNS(=O)(=O)CS(=O)(=O)NCCCN(CCCC)CCCC
InChIInChI=1S/C23H52N4O4S2/c1-5-9-17-26(18-10-6-2)21-13-15-24-32(28,29)23-33(30,31)25-16-14-22-27(19-11-7-3)20-12-8-4/h24-25H,5-23H2,1-4H3
InChIKeyCSWVCFLPQIVIMX-UHFFFAOYSA-N
MW512.83 g/mol
LogP3.37
Rot. Bonds24

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

N,N'-bis[3-(dibutylamino)propyl]methanedisulfonamide (PubChem CID 58113246) has the molecular formula C23H52N4O4S2 and a molecular weight of 512.83 g/mol. Its IUPAC name is N,N'-bis[3-(dibutylamino)propyl]methanedisulfonamide.

Molecular Properties

Compound NameN,N'-bis[3-(dibutylamino)propyl]methanedisulfonamide
PubChem CID58113246
Molecular FormulaC23H52N4O4S2
Molecular Weight512.83 g/mol
Exact Mass512.34
IUPAC NameN,N'-bis[3-(dibutylamino)propyl]methanedisulfonamide
SMILESCCCCN(CCCC)CCCNS(=O)(=O)CS(=O)(=O)NCCCN(CCCC)CCCC
InChIInChI=1S/C23H52N4O4S2/c1-5-9-17-26(18-10-6-2)21-13-15-24-32(28,29)23-33(30,31)25-16-14-22-27(19-11-7-3)20-12-8-4/h24-25H,5-23H2,1-4H3
InChIKeyCSWVCFLPQIVIMX-UHFFFAOYSA-N
XLogP3.37
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.83
LogP ≤ 53.37
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

Methanesulfonamide, N-[3-(diethylamino)propyl]-
CID 3330231
3-(Diethylamino)propylsulfamoylmethanesulfonic acid
CID 21049568
N-[3-(dibutylamino)propyl]methanesulfonamide
CID 23573808
N,N'-bis[3-(diethylamino)propyl]methanedisulfonamide
CID 58113233
1-(Diethylamino)-3-[3-(diethylamino)propylsulfamoylsulfonylamino]propane
CID 88980123
1-[Butyl-[3-[3-(dibutylamino)propylsulfamoylsulfonylamino]propyl]amino]butane
CID 88980124
1-(Dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane;3-(dimethylamino)propylsulfamoylmethanesulfonic acid
CID 91437527
N-[3-[butyl(methyl)amino]propyl]methanesulfonamide
CID 117884052
N-[3-(diethylsulfamoyl)butyl]-N-methyl-4-(propan-2-ylsulfonylamino)butane-2-sulfonamide
CID 129091851
N-[3-[4-(3-aminopropylamino)butylamino]propyl]methanesulfonamide
CID 150592846
N-[3-[3-(methanesulfonamido)propylamino]propyl]methanesulfonamide
CID 151187280
N-[3-(dibutylamino)propyl]methanesulfonamide;methane
CID 159472690

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(dibutylamino)propyl]methanedisulfonamide?
The IUPAC name of N,N'-bis[3-(dibutylamino)propyl]methanedisulfonamide (CID 58113246) is N,N'-bis[3-(dibutylamino)propyl]methanedisulfonamide.
What is the SMILES notation for N,N'-bis[3-(dibutylamino)propyl]methanedisulfonamide?
The canonical SMILES for N,N'-bis[3-(dibutylamino)propyl]methanedisulfonamide is CCCCN(CCCC)CCCNS(=O)(=O)CS(=O)(=O)NCCCN(CCCC)CCCC.
What is the InChIKey of N,N'-bis[3-(dibutylamino)propyl]methanedisulfonamide?
The InChIKey is CSWVCFLPQIVIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H52N4O4S2/c1-5-9-17-26(18-10-6-2)21-13-15-24-32(28,29)23-33(30,31)25-16-14-22-27(19-11-7-3)20-12-8-4/h24-25H,5-23H2,1-4H3.
What are the key properties of N,N'-bis[3-(dibutylamino)propyl]methanedisulfonamide?
N,N'-bis[3-(dibutylamino)propyl]methanedisulfonamide has a molecular weight of 512.83 g/mol, XLogP of 3.37, 24 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(dibutylamino)propyl]methanedisulfonamide is sourced from PubChem (CID 58113246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).