1-(dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane

C10H26N4O4S2 — CID 20665351

IUPAC1-(dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane
SMILESCN(C)CCCNS(=O)(=O)S(=O)(=O)NCCCN(C)C
InChIInChI=1S/C10H26N4O4S2/c1-13(2)9-5-7-11-19(15,16)20(17,18)12-8-6-10-14(3)4/h11-12H,5-10H2,1-4H3
InChIKeyGMSQIDPZUCFULV-UHFFFAOYSA-N
MW330.48 g/mol
LogP-1.36
Rot. Bonds11

About 1-(dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane

1-(dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane (PubChem CID 20665351) has the molecular formula C10H26N4O4S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane.

Molecular Properties

Compound Name1-(dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane
PubChem CID20665351
Molecular FormulaC10H26N4O4S2
Molecular Weight330.48 g/mol
Exact Mass330.14
IUPAC Name1-(dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane
SMILESCN(C)CCCNS(=O)(=O)S(=O)(=O)NCCCN(C)C
InChIInChI=1S/C10H26N4O4S2/c1-13(2)9-5-7-11-19(15,16)20(17,18)12-8-6-10-14(3)4/h11-12H,5-10H2,1-4H3
InChIKeyGMSQIDPZUCFULV-UHFFFAOYSA-N
XLogP-1.36
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane?
The IUPAC name of 1-(dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane (CID 20665351) is 1-(dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane.
What is the SMILES notation for 1-(dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane?
The canonical SMILES for 1-(dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane is CN(C)CCCNS(=O)(=O)S(=O)(=O)NCCCN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane?
The InChIKey is GMSQIDPZUCFULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4O4S2/c1-13(2)9-5-7-11-19(15,16)20(17,18)12-8-6-10-14(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane?
1-(dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane has a molecular weight of 330.48 g/mol, XLogP of -1.36, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[3-(dimethylamino)propylsulfamoylsulfonylamino]propane is sourced from PubChem (CID 20665351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).