N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen

C11H26N2O4S — CID 155750770

IUPACN-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen
SMILESCCNCCOCCCS(=O)(=O)N(C)C(=O)CC.[H][H]
InChIInChI=1S/C11H24N2O4S.H2/c1-4-11(14)13(3)18(15,16)10-6-8-17-9-7-12-5-2;/h12H,4-10H2,1-3H3;1H
InChIKeyNLYFQOISYBDYJJ-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.45
Rot. Bonds10

About N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen

N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen (PubChem CID 155750770) has the molecular formula C11H26N2O4S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen
PubChem CID155750770
Molecular FormulaC11H26N2O4S
Molecular Weight282.41 g/mol
Exact Mass282.16
IUPAC NameN-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen
SMILESCCNCCOCCCS(=O)(=O)N(C)C(=O)CC.[H][H]
InChIInChI=1S/C11H24N2O4S.H2/c1-4-11(14)13(3)18(15,16)10-6-8-17-9-7-12-5-2;/h12H,4-10H2,1-3H3;1H
InChIKeyNLYFQOISYBDYJJ-UHFFFAOYSA-N
XLogP0.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide
CID 54324097
3-(propanoylsulfamoyl)-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 57740859
3-(methylsulfamoyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
CID 57740861
N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-3-(propanoylsulfamoyl)propanamide
CID 57740897
N-[2-(2-ethoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide
CID 57740904
3-[2-[2-(2-Acetamidoethoxy)ethoxy]ethyl-(3-sulfonatopropyl)amino]propane-1-sulfonate
CID 58570127
3-[2-(2-Acetamidoethoxy)ethoxy]propane-1-sulfonic acid
CID 58570149
2-(2-Acetamidoethoxy)ethanesulfonate
CID 59247715
N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide
CID 59783181
N-[2-(2-ethoxyethoxy)ethyl]-3-(methylsulfamoyl)propanamide
CID 90428996
4-[[4-[2-(2-Methoxyethoxy)ethylamino]-4-oxobutyl]sulfonylamino]-4-oxobutane-1-sulfonic acid
CID 90455592
3-[2-(2,2-Dimethylpropanoylamino)ethoxy]propane-1-sulfonic acid
CID 138592787

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen?
The IUPAC name of N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen (CID 155750770) is N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen is CCNCCOCCCS(=O)(=O)N(C)C(=O)CC.[H][H].
What is the InChIKey of N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen?
The InChIKey is NLYFQOISYBDYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S.H2/c1-4-11(14)13(3)18(15,16)10-6-8-17-9-7-12-5-2;/h12H,4-10H2,1-3H3;1H.
What are the key properties of N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen?
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen has a molecular weight of 282.41 g/mol, XLogP of 0.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 155750770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).