N-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine

C12H30N4O4S2 — CID 91320842

IUPACN-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)S(=O)(=O)N(C)N(C)S(=O)(=O)N(CC)CC
InChIInChI=1S/C12H30N4O4S2/c1-7-11-16(12-8-2)22(19,20)14(6)13(5)21(17,18)15(9-3)10-4/h7-12H2,1-6H3
InChIKeyREUAPZOXYUZUEV-UHFFFAOYSA-N
MW358.53 g/mol
LogP0.72
Rot. Bonds11

About N-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine

N-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine (PubChem CID 91320842) has the molecular formula C12H30N4O4S2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine
PubChem CID91320842
Molecular FormulaC12H30N4O4S2
Molecular Weight358.53 g/mol
Exact Mass358.17
IUPAC NameN-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)S(=O)(=O)N(C)N(C)S(=O)(=O)N(CC)CC
InChIInChI=1S/C12H30N4O4S2/c1-7-11-16(12-8-2)22(19,20)14(6)13(5)21(17,18)15(9-3)10-4/h7-12H2,1-6H3
InChIKeyREUAPZOXYUZUEV-UHFFFAOYSA-N
XLogP0.72
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine (CID 91320842) is N-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine is CCCN(CCC)S(=O)(=O)N(C)N(C)S(=O)(=O)N(CC)CC.
What is the InChIKey of N-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine?
The InChIKey is REUAPZOXYUZUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4O4S2/c1-7-11-16(12-8-2)22(19,20)14(6)13(5)21(17,18)15(9-3)10-4/h7-12H2,1-6H3.
What are the key properties of N-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine?
N-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine has a molecular weight of 358.53 g/mol, XLogP of 0.72, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[diethylsulfamoyl(methyl)amino]-methylsulfamoyl]-N-propylpropan-1-amine is sourced from PubChem (CID 91320842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).