N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide

C12H26N2O4S — CID 155405417

IUPACN-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide
SMILESCCNCCOCCCS(=O)(=O)N(C)C(=O)C(C)C
InChIInChI=1S/C12H26N2O4S/c1-5-13-7-9-18-8-6-10-19(16,17)14(4)12(15)11(2)3/h11,13H,5-10H2,1-4H3
InChIKeyIUHVKUHEZWSFQV-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.45
Rot. Bonds10

About N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide

N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide (PubChem CID 155405417) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide
PubChem CID155405417
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC NameN-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide
SMILESCCNCCOCCCS(=O)(=O)N(C)C(=O)C(C)C
InChIInChI=1S/C12H26N2O4S/c1-5-13-7-9-18-8-6-10-19(16,17)14(4)12(15)11(2)3/h11,13H,5-10H2,1-4H3
InChIKeyIUHVKUHEZWSFQV-UHFFFAOYSA-N
XLogP0.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide (CID 155405417) is N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide is CCNCCOCCCS(=O)(=O)N(C)C(=O)C(C)C.
What is the InChIKey of N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide?
The InChIKey is IUHVKUHEZWSFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-5-13-7-9-18-8-6-10-19(16,17)14(4)12(15)11(2)3/h11,13H,5-10H2,1-4H3.
What are the key properties of N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide?
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide has a molecular weight of 294.42 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,2-dimethylpropanamide is sourced from PubChem (CID 155405417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).