N-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine

C14H34N4O2S — CID 53320822

IUPACN-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNS(=O)(=O)NCCCN(CC)CC
InChIInChI=1S/C14H34N4O2S/c1-5-17(6-2)13-9-11-15-21(19,20)16-12-10-14-18(7-3)8-4/h15-16H,5-14H2,1-4H3
InChIKeyKSMHQPVLJPESOT-UHFFFAOYSA-N
MW322.52 g/mol
LogP0.87
Rot. Bonds14

About N-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine

N-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine (PubChem CID 53320822) has the molecular formula C14H34N4O2S and a molecular weight of 322.52 g/mol. Its IUPAC name is N-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine
PubChem CID53320822
Molecular FormulaC14H34N4O2S
Molecular Weight322.52 g/mol
Exact Mass322.24
IUPAC NameN-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNS(=O)(=O)NCCCN(CC)CC
InChIInChI=1S/C14H34N4O2S/c1-5-17(6-2)13-9-11-15-21(19,20)16-12-10-14-18(7-3)8-4/h15-16H,5-14H2,1-4H3
InChIKeyKSMHQPVLJPESOT-UHFFFAOYSA-N
XLogP0.87
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 50.87
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-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine (CID 53320822) is N-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNS(=O)(=O)NCCCN(CC)CC.
What is the InChIKey of N-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine?
The InChIKey is KSMHQPVLJPESOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34N4O2S/c1-5-17(6-2)13-9-11-15-21(19,20)16-12-10-14-18(7-3)8-4/h15-16H,5-14H2,1-4H3.
What are the key properties of N-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine?
N-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine has a molecular weight of 322.52 g/mol, XLogP of 0.87, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propylsulfamoyl]-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 53320822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).