methoxy-oxo-(2-sulfamoylethyl)azanium

C3H9N2O4S+ — CID 140862940

IUPACmethoxy-oxo-(2-sulfamoylethyl)azanium
SMILESCO[N+](=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
InChIKeyKTYPQCCXHZXMAF-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.38
Rot. Bonds4

About methoxy-oxo-(2-sulfamoylethyl)azanium

methoxy-oxo-(2-sulfamoylethyl)azanium (PubChem CID 140862940) has the molecular formula C3H9N2O4S+ and a molecular weight of 169.18 g/mol. Its IUPAC name is methoxy-oxo-(2-sulfamoylethyl)azanium.

Molecular Properties

Compound Namemethoxy-oxo-(2-sulfamoylethyl)azanium
PubChem CID140862940
Molecular FormulaC3H9N2O4S+
Molecular Weight169.18 g/mol
Exact Mass169.03
IUPAC Namemethoxy-oxo-(2-sulfamoylethyl)azanium
SMILESCO[N+](=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
InChIKeyKTYPQCCXHZXMAF-UHFFFAOYSA-N
XLogP-1.38
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methoxy-oxo-(2-sulfamoylethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Azanium 2-nitroethanesulfonate
CID 134586995
Amino 2-nitroethanesulfonate
CID 134595076
Methyl 2-nitroethanesulfinate
CID 154274739
N-methoxy-2-sulfamoylethanamine oxide
CID 163800863
2-Nitroethane-1-sulfonamide
CID 153663209
2-[Methoxy(oxido)amino]ethanesulfonamide
CID 163800864

Frequently Asked Questions

What is the IUPAC name of methoxy-oxo-(2-sulfamoylethyl)azanium?
The IUPAC name of methoxy-oxo-(2-sulfamoylethyl)azanium (CID 140862940) is methoxy-oxo-(2-sulfamoylethyl)azanium.
What is the SMILES notation for methoxy-oxo-(2-sulfamoylethyl)azanium?
The canonical SMILES for methoxy-oxo-(2-sulfamoylethyl)azanium is CO[N+](=O)CCS(N)(=O)=O.
What is the InChIKey of methoxy-oxo-(2-sulfamoylethyl)azanium?
The InChIKey is KTYPQCCXHZXMAF-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 methoxy-oxo-(2-sulfamoylethyl)azanium?
methoxy-oxo-(2-sulfamoylethyl)azanium has a molecular weight of 169.18 g/mol, XLogP of -1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxo-(2-sulfamoylethyl)azanium is sourced from PubChem (CID 140862940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).