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

C14H34N4O4S2 — CID 88980123

IUPAC1-(diethylamino)-3-[3-(diethylamino)propylsulfamoylsulfonylamino]propane
SMILESCCN(CC)CCCNS(=O)(=O)S(=O)(=O)NCCCN(CC)CC
InChIInChI=1S/C14H34N4O4S2/c1-5-17(6-2)13-9-11-15-23(19,20)24(21,22)16-12-10-14-18(7-3)8-4/h15-16H,5-14H2,1-4H3
InChIKeyRKGJGLGEOQOTPM-UHFFFAOYSA-N
MW386.58 g/mol
LogP0.20
Rot. Bonds15

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

1-(diethylamino)-3-[3-(diethylamino)propylsulfamoylsulfonylamino]propane (PubChem CID 88980123) has the molecular formula C14H34N4O4S2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-(diethylamino)-3-[3-(diethylamino)propylsulfamoylsulfonylamino]propane.

Molecular Properties

Compound Name1-(diethylamino)-3-[3-(diethylamino)propylsulfamoylsulfonylamino]propane
PubChem CID88980123
Molecular FormulaC14H34N4O4S2
Molecular Weight386.58 g/mol
Exact Mass386.20
IUPAC Name1-(diethylamino)-3-[3-(diethylamino)propylsulfamoylsulfonylamino]propane
SMILESCCN(CC)CCCNS(=O)(=O)S(=O)(=O)NCCCN(CC)CC
InChIInChI=1S/C14H34N4O4S2/c1-5-17(6-2)13-9-11-15-23(19,20)24(21,22)16-12-10-14-18(7-3)8-4/h15-16H,5-14H2,1-4H3
InChIKeyRKGJGLGEOQOTPM-UHFFFAOYSA-N
XLogP0.20
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 50.20
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-(diethylamino)-3-[3-(diethylamino)propylsulfamoylsulfonylamino]propane?
The IUPAC name of 1-(diethylamino)-3-[3-(diethylamino)propylsulfamoylsulfonylamino]propane (CID 88980123) is 1-(diethylamino)-3-[3-(diethylamino)propylsulfamoylsulfonylamino]propane.
What is the SMILES notation for 1-(diethylamino)-3-[3-(diethylamino)propylsulfamoylsulfonylamino]propane?
The canonical SMILES for 1-(diethylamino)-3-[3-(diethylamino)propylsulfamoylsulfonylamino]propane is CCN(CC)CCCNS(=O)(=O)S(=O)(=O)NCCCN(CC)CC.
What is the InChIKey of 1-(diethylamino)-3-[3-(diethylamino)propylsulfamoylsulfonylamino]propane?
The InChIKey is RKGJGLGEOQOTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34N4O4S2/c1-5-17(6-2)13-9-11-15-23(19,20)24(21,22)16-12-10-14-18(7-3)8-4/h15-16H,5-14H2,1-4H3.
What are the key properties of 1-(diethylamino)-3-[3-(diethylamino)propylsulfamoylsulfonylamino]propane?
1-(diethylamino)-3-[3-(diethylamino)propylsulfamoylsulfonylamino]propane has a molecular weight of 386.58 g/mol, XLogP of 0.20, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[3-(diethylamino)propylsulfamoylsulfonylamino]propane is sourced from PubChem (CID 88980123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).