4,4-diethoxybutane-1-sulfonamide

C8H19NO4S — CID 133065107

IUPAC4,4-diethoxybutane-1-sulfonamide
SMILESCCOC(CCCS(N)(=O)=O)OCC
InChIInChI=1S/C8H19NO4S/c1-3-12-8(13-4-2)6-5-7-14(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
InChIKeyWBBJRYXVFKCXIW-UHFFFAOYSA-N
MW225.31 g/mol
LogP0.45
Rot. Bonds8

About 4,4-diethoxybutane-1-sulfonamide

4,4-diethoxybutane-1-sulfonamide (PubChem CID 133065107) has the molecular formula C8H19NO4S and a molecular weight of 225.31 g/mol. Its IUPAC name is 4,4-diethoxybutane-1-sulfonamide.

Molecular Properties

Compound Name4,4-diethoxybutane-1-sulfonamide
PubChem CID133065107
Molecular FormulaC8H19NO4S
Molecular Weight225.31 g/mol
Exact Mass225.10
IUPAC Name4,4-diethoxybutane-1-sulfonamide
SMILESCCOC(CCCS(N)(=O)=O)OCC
InChIInChI=1S/C8H19NO4S/c1-3-12-8(13-4-2)6-5-7-14(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
InChIKeyWBBJRYXVFKCXIW-UHFFFAOYSA-N
XLogP0.45
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethoxybutane-1-sulfonamide?
The IUPAC name of 4,4-diethoxybutane-1-sulfonamide (CID 133065107) is 4,4-diethoxybutane-1-sulfonamide.
What is the SMILES notation for 4,4-diethoxybutane-1-sulfonamide?
The canonical SMILES for 4,4-diethoxybutane-1-sulfonamide is CCOC(CCCS(N)(=O)=O)OCC.
What is the InChIKey of 4,4-diethoxybutane-1-sulfonamide?
The InChIKey is WBBJRYXVFKCXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S/c1-3-12-8(13-4-2)6-5-7-14(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11).
What are the key properties of 4,4-diethoxybutane-1-sulfonamide?
4,4-diethoxybutane-1-sulfonamide has a molecular weight of 225.31 g/mol, XLogP of 0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethoxybutane-1-sulfonamide is sourced from PubChem (CID 133065107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).