2-[methoxy(oxido)amino]ethanesulfonamide

C3H9N2O4S- — CID 163800864

IUPAC2-[methoxy(oxido)amino]ethanesulfonamide
SMILESCON([O-])CCS(N)(=O)=O
InChIInChI=1S/C3H9N2O4S/c1-9-5(6)2-3-10(4,7)8/h2-3H2,1H3,(H2,4,7,8)/q-1
InChIKeyVRAUIHISPOWVLP-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.36
Rot. Bonds4

About 2-[methoxy(oxido)amino]ethanesulfonamide

2-[methoxy(oxido)amino]ethanesulfonamide (PubChem CID 163800864) has the molecular formula C3H9N2O4S- and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-[methoxy(oxido)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[methoxy(oxido)amino]ethanesulfonamide
PubChem CID163800864
Molecular FormulaC3H9N2O4S-
Molecular Weight169.18 g/mol
Exact Mass169.03
IUPAC Name2-[methoxy(oxido)amino]ethanesulfonamide
SMILESCON([O-])CCS(N)(=O)=O
InChIInChI=1S/C3H9N2O4S/c1-9-5(6)2-3-10(4,7)8/h2-3H2,1H3,(H2,4,7,8)/q-1
InChIKeyVRAUIHISPOWVLP-UHFFFAOYSA-N
XLogP-1.36
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.36
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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Related Compounds

2-(Methoxyamino)ethanesulfonamide
CID 87941513
2-[Methoxy(methyl)amino]ethanesulfonamide
CID 90865184
Methoxy-oxo-(2-sulfamoylethyl)azanium
CID 140862940
N-methoxy-2-sulfamoylethanamine oxide
CID 163800863

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(oxido)amino]ethanesulfonamide?
The IUPAC name of 2-[methoxy(oxido)amino]ethanesulfonamide (CID 163800864) is 2-[methoxy(oxido)amino]ethanesulfonamide.
What is the SMILES notation for 2-[methoxy(oxido)amino]ethanesulfonamide?
The canonical SMILES for 2-[methoxy(oxido)amino]ethanesulfonamide is CON([O-])CCS(N)(=O)=O.
What is the InChIKey of 2-[methoxy(oxido)amino]ethanesulfonamide?
The InChIKey is VRAUIHISPOWVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N2O4S/c1-9-5(6)2-3-10(4,7)8/h2-3H2,1H3,(H2,4,7,8)/q-1.
What are the key properties of 2-[methoxy(oxido)amino]ethanesulfonamide?
2-[methoxy(oxido)amino]ethanesulfonamide has a molecular weight of 169.18 g/mol, XLogP of -1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(oxido)amino]ethanesulfonamide is sourced from PubChem (CID 163800864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).