N-ethoxy-2-methoxyethanesulfonamide

C5H13NO4S — CID 64973778

IUPACN-ethoxy-2-methoxyethanesulfonamide
SMILESCCONS(=O)(=O)CCOC
InChIInChI=1S/C5H13NO4S/c1-3-10-6-11(7,8)5-4-9-2/h6H,3-5H2,1-2H3
InChIKeyAYTWNNXPUURBKE-UHFFFAOYSA-N
MW183.23 g/mol
LogP-0.50
Rot. Bonds6

About N-ethoxy-2-methoxyethanesulfonamide

N-ethoxy-2-methoxyethanesulfonamide (PubChem CID 64973778) has the molecular formula C5H13NO4S and a molecular weight of 183.23 g/mol. Its IUPAC name is N-ethoxy-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-ethoxy-2-methoxyethanesulfonamide
PubChem CID64973778
Molecular FormulaC5H13NO4S
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC NameN-ethoxy-2-methoxyethanesulfonamide
SMILESCCONS(=O)(=O)CCOC
InChIInChI=1S/C5H13NO4S/c1-3-10-6-11(7,8)5-4-9-2/h6H,3-5H2,1-2H3
InChIKeyAYTWNNXPUURBKE-UHFFFAOYSA-N
XLogP-0.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-methoxyethanesulfonamide?
The IUPAC name of N-ethoxy-2-methoxyethanesulfonamide (CID 64973778) is N-ethoxy-2-methoxyethanesulfonamide.
What is the SMILES notation for N-ethoxy-2-methoxyethanesulfonamide?
The canonical SMILES for N-ethoxy-2-methoxyethanesulfonamide is CCONS(=O)(=O)CCOC.
What is the InChIKey of N-ethoxy-2-methoxyethanesulfonamide?
The InChIKey is AYTWNNXPUURBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S/c1-3-10-6-11(7,8)5-4-9-2/h6H,3-5H2,1-2H3.
What are the key properties of N-ethoxy-2-methoxyethanesulfonamide?
N-ethoxy-2-methoxyethanesulfonamide has a molecular weight of 183.23 g/mol, XLogP of -0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methoxyethanesulfonamide is sourced from PubChem (CID 64973778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).