N-(2-methoxyethoxy)-2-methylsulfonylethanesulfonamide

C6H15NO6S2 — CID 82715942

IUPACN-(2-methoxyethoxy)-2-methylsulfonylethanesulfonamide
SMILESCOCCONS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C6H15NO6S2/c1-12-3-4-13-7-15(10,11)6-5-14(2,8)9/h7H,3-6H2,1-2H3
InChIKeyXNQNXESGIJSJOL-UHFFFAOYSA-N
MW261.32 g/mol
LogP-1.47
Rot. Bonds8

About N-(2-methoxyethoxy)-2-methylsulfonylethanesulfonamide

N-(2-methoxyethoxy)-2-methylsulfonylethanesulfonamide (PubChem CID 82715942) has the molecular formula C6H15NO6S2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-2-methylsulfonylethanesulfonamide
PubChem CID82715942
Molecular FormulaC6H15NO6S2
Molecular Weight261.32 g/mol
Exact Mass261.03
IUPAC NameN-(2-methoxyethoxy)-2-methylsulfonylethanesulfonamide
SMILESCOCCONS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C6H15NO6S2/c1-12-3-4-13-7-15(10,11)6-5-14(2,8)9/h7H,3-6H2,1-2H3
InChIKeyXNQNXESGIJSJOL-UHFFFAOYSA-N
XLogP-1.47
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(2-methoxyethoxy)-2-methylsulfonylethanesulfonamide (CID 82715942) is N-(2-methoxyethoxy)-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(2-methoxyethoxy)-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(2-methoxyethoxy)-2-methylsulfonylethanesulfonamide is COCCONS(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethoxy)-2-methylsulfonylethanesulfonamide?
The InChIKey is XNQNXESGIJSJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO6S2/c1-12-3-4-13-7-15(10,11)6-5-14(2,8)9/h7H,3-6H2,1-2H3.
What are the key properties of N-(2-methoxyethoxy)-2-methylsulfonylethanesulfonamide?
N-(2-methoxyethoxy)-2-methylsulfonylethanesulfonamide has a molecular weight of 261.32 g/mol, XLogP of -1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 82715942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).