2-ethoxy-N,N-diethylethanesulfonamide

C8H19NO3S — CID 62733496

IUPAC2-ethoxy-N,N-diethylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CC)CC
InChIInChI=1S/C8H19NO3S/c1-4-9(5-2)13(10,11)8-7-12-6-3/h4-8H2,1-3H3
InChIKeyQDIRIINUGGONRI-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.69
Rot. Bonds7

About 2-ethoxy-N,N-diethylethanesulfonamide

2-ethoxy-N,N-diethylethanesulfonamide (PubChem CID 62733496) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-ethoxy-N,N-diethylethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N,N-diethylethanesulfonamide
PubChem CID62733496
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name2-ethoxy-N,N-diethylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CC)CC
InChIInChI=1S/C8H19NO3S/c1-4-9(5-2)13(10,11)8-7-12-6-3/h4-8H2,1-3H3
InChIKeyQDIRIINUGGONRI-UHFFFAOYSA-N
XLogP0.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-ethoxy-N,N-diethylethanesulfonamide?
The IUPAC name of 2-ethoxy-N,N-diethylethanesulfonamide (CID 62733496) is 2-ethoxy-N,N-diethylethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N,N-diethylethanesulfonamide?
The canonical SMILES for 2-ethoxy-N,N-diethylethanesulfonamide is CCOCCS(=O)(=O)N(CC)CC.
What is the InChIKey of 2-ethoxy-N,N-diethylethanesulfonamide?
The InChIKey is QDIRIINUGGONRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-4-9(5-2)13(10,11)8-7-12-6-3/h4-8H2,1-3H3.
What are the key properties of 2-ethoxy-N,N-diethylethanesulfonamide?
2-ethoxy-N,N-diethylethanesulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,N-diethylethanesulfonamide is sourced from PubChem (CID 62733496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).