N-methoxy-2-sulfamoylethanamine oxide

C3H10N2O4S — CID 163800863

IUPACN-methoxy-2-sulfamoylethanamine oxide
SMILESCO[NH+]([O-])CCS(N)(=O)=O
InChIInChI=1S/C3H10N2O4S/c1-9-5(6)2-3-10(4,7)8/h5H,2-3H2,1H3,(H2,4,7,8)
InChIKeyNEVDTCPWISVAPB-UHFFFAOYSA-N
MW170.19 g/mol
LogP-2.78
Rot. Bonds4

About N-methoxy-2-sulfamoylethanamine oxide

N-methoxy-2-sulfamoylethanamine oxide (PubChem CID 163800863) has the molecular formula C3H10N2O4S and a molecular weight of 170.19 g/mol. Its IUPAC name is N-methoxy-2-sulfamoylethanamine oxide.

Molecular Properties

Compound NameN-methoxy-2-sulfamoylethanamine oxide
PubChem CID163800863
Molecular FormulaC3H10N2O4S
Molecular Weight170.19 g/mol
Exact Mass170.04
IUPAC NameN-methoxy-2-sulfamoylethanamine oxide
SMILESCO[NH+]([O-])CCS(N)(=O)=O
InChIInChI=1S/C3H10N2O4S/c1-9-5(6)2-3-10(4,7)8/h5H,2-3H2,1H3,(H2,4,7,8)
InChIKeyNEVDTCPWISVAPB-UHFFFAOYSA-N
XLogP-2.78
TPSA96.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-2.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxyamino)-N,N-dimethylethanesulfonamide
CID 21691664
1-(Methoxyamino)ethanesulfonamide
CID 87941512
2-(Methoxyamino)ethanesulfonamide
CID 87941513
2-(Methoxyamino)ethanesulfonic acid
CID 88409929
2-(Methoxyamino)ethanesulfinate
CID 91155346
Methoxy-oxo-(2-sulfamoylethyl)azanium
CID 140862940
1-(methoxyamino)-N-methylethanesulfonamide
CID 155353522
Sodium;methyl 2-aminoethanesulfonate;nitrate
CID 169724599
2-(Ethoxyamino)ethanesulfonamide
CID 115644975
2-[Methoxy(oxido)amino]ethanesulfonamide
CID 163800864

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-sulfamoylethanamine oxide?
The IUPAC name of N-methoxy-2-sulfamoylethanamine oxide (CID 163800863) is N-methoxy-2-sulfamoylethanamine oxide.
What is the SMILES notation for N-methoxy-2-sulfamoylethanamine oxide?
The canonical SMILES for N-methoxy-2-sulfamoylethanamine oxide is CO[NH+]([O-])CCS(N)(=O)=O.
What is the InChIKey of N-methoxy-2-sulfamoylethanamine oxide?
The InChIKey is NEVDTCPWISVAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O4S/c1-9-5(6)2-3-10(4,7)8/h5H,2-3H2,1H3,(H2,4,7,8).
What are the key properties of N-methoxy-2-sulfamoylethanamine oxide?
N-methoxy-2-sulfamoylethanamine oxide has a molecular weight of 170.19 g/mol, XLogP of -2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-sulfamoylethanamine oxide is sourced from PubChem (CID 163800863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).