N-ethoxy-2-methylsulfonylethanesulfonamide

C5H13NO5S2 — CID 64973853

IUPACN-ethoxy-2-methylsulfonylethanesulfonamide
SMILESCCONS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C5H13NO5S2/c1-3-11-6-13(9,10)5-4-12(2,7)8/h6H,3-5H2,1-2H3
InChIKeyLEJHSXUNVRXPIJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP-1.10
Rot. Bonds6

About N-ethoxy-2-methylsulfonylethanesulfonamide

N-ethoxy-2-methylsulfonylethanesulfonamide (PubChem CID 64973853) has the molecular formula C5H13NO5S2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-ethoxy-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-ethoxy-2-methylsulfonylethanesulfonamide
PubChem CID64973853
Molecular FormulaC5H13NO5S2
Molecular Weight231.29 g/mol
Exact Mass231.02
IUPAC NameN-ethoxy-2-methylsulfonylethanesulfonamide
SMILESCCONS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C5H13NO5S2/c1-3-11-6-13(9,10)5-4-12(2,7)8/h6H,3-5H2,1-2H3
InChIKeyLEJHSXUNVRXPIJ-UHFFFAOYSA-N
XLogP-1.10
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methylsulfonylethanesulfonamide?
The IUPAC name of N-ethoxy-2-methylsulfonylethanesulfonamide (CID 64973853) is N-ethoxy-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-ethoxy-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-ethoxy-2-methylsulfonylethanesulfonamide is CCONS(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of N-ethoxy-2-methylsulfonylethanesulfonamide?
The InChIKey is LEJHSXUNVRXPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO5S2/c1-3-11-6-13(9,10)5-4-12(2,7)8/h6H,3-5H2,1-2H3.
What are the key properties of N-ethoxy-2-methylsulfonylethanesulfonamide?
N-ethoxy-2-methylsulfonylethanesulfonamide has a molecular weight of 231.29 g/mol, XLogP of -1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 64973853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).