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

C11H24N2O4S — CID 155707479

IUPACN-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide
SMILESCCNCCOCCCS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C11H24N2O4S/c1-4-12-6-8-17-7-5-9-18(15,16)13-11(14)10(2)3/h10,12H,4-9H2,1-3H3,(H,13,14)
InChIKeyAAOLMSPPDCKECA-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.10
Rot. Bonds10

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

N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide (PubChem CID 155707479) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide
PubChem CID155707479
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC NameN-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide
SMILESCCNCCOCCCS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C11H24N2O4S/c1-4-12-6-8-17-7-5-9-18(15,16)13-11(14)10(2)3/h10,12H,4-9H2,1-3H3,(H,13,14)
InChIKeyAAOLMSPPDCKECA-UHFFFAOYSA-N
XLogP0.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.10
H-Bond Donors ≤ 52
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]-2-methylpropanamide?
The IUPAC name of N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide (CID 155707479) is N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide is CCNCCOCCCS(=O)(=O)NC(=O)C(C)C.
What is the InChIKey of N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide?
The InChIKey is AAOLMSPPDCKECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-4-12-6-8-17-7-5-9-18(15,16)13-11(14)10(2)3/h10,12H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide?
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide has a molecular weight of 280.39 g/mol, XLogP of 0.10, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide is sourced from PubChem (CID 155707479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).