N-methoxy-2-methylsulfonylethanesulfonamide

C4H11NO5S2 — CID 64973848

IUPACN-methoxy-2-methylsulfonylethanesulfonamide
SMILESCONS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C4H11NO5S2/c1-10-5-12(8,9)4-3-11(2,6)7/h5H,3-4H2,1-2H3
InChIKeyJAOJWUQTMHGLDW-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.49
Rot. Bonds5

About N-methoxy-2-methylsulfonylethanesulfonamide

N-methoxy-2-methylsulfonylethanesulfonamide (PubChem CID 64973848) has the molecular formula C4H11NO5S2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-methoxy-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-methoxy-2-methylsulfonylethanesulfonamide
PubChem CID64973848
Molecular FormulaC4H11NO5S2
Molecular Weight217.27 g/mol
Exact Mass217.01
IUPAC NameN-methoxy-2-methylsulfonylethanesulfonamide
SMILESCONS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C4H11NO5S2/c1-10-5-12(8,9)4-3-11(2,6)7/h5H,3-4H2,1-2H3
InChIKeyJAOJWUQTMHGLDW-UHFFFAOYSA-N
XLogP-1.49
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.49
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-methoxy-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-methoxy-2-methylsulfonylethanesulfonamide (CID 64973848) is N-methoxy-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-methoxy-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-methoxy-2-methylsulfonylethanesulfonamide is CONS(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of N-methoxy-2-methylsulfonylethanesulfonamide?
The InChIKey is JAOJWUQTMHGLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO5S2/c1-10-5-12(8,9)4-3-11(2,6)7/h5H,3-4H2,1-2H3.
What are the key properties of N-methoxy-2-methylsulfonylethanesulfonamide?
N-methoxy-2-methylsulfonylethanesulfonamide has a molecular weight of 217.27 g/mol, XLogP of -1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 64973848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).