N-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine

C10H26N4O2S — CID 53316867

IUPACN-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNS(=O)(=O)NCCCN(C)C
InChIInChI=1S/C10H26N4O2S/c1-13(2)9-5-7-11-17(15,16)12-8-6-10-14(3)4/h11-12H,5-10H2,1-4H3
InChIKeyFLMIFHJGTDXGGD-UHFFFAOYSA-N
MW266.41 g/mol
LogP-0.69
Rot. Bonds10

About N-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine

N-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 53316867) has the molecular formula C10H26N4O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID53316867
Molecular FormulaC10H26N4O2S
Molecular Weight266.41 g/mol
Exact Mass266.18
IUPAC NameN-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNS(=O)(=O)NCCCN(C)C
InChIInChI=1S/C10H26N4O2S/c1-13(2)9-5-7-11-17(15,16)12-8-6-10-14(3)4/h11-12H,5-10H2,1-4H3
InChIKeyFLMIFHJGTDXGGD-UHFFFAOYSA-N
XLogP-0.69
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine (CID 53316867) is N-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNS(=O)(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is FLMIFHJGTDXGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4O2S/c1-13(2)9-5-7-11-17(15,16)12-8-6-10-14(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine?
N-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 266.41 g/mol, XLogP of -0.69, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 53316867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).