2-(methoxyamino)ethanesulfonamide

C3H10N2O3S — CID 87941513

IUPAC2-(methoxyamino)ethanesulfonamide
SMILESCONCCS(N)(=O)=O
InChIInChI=1S/C3H10N2O3S/c1-8-5-2-3-9(4,6)7/h5H,2-3H2,1H3,(H2,4,6,7)
InChIKeyXSJCJGDBSZEZQT-UHFFFAOYSA-N
MW154.19 g/mol
LogP-1.57
Rot. Bonds4

About 2-(methoxyamino)ethanesulfonamide

2-(methoxyamino)ethanesulfonamide (PubChem CID 87941513) has the molecular formula C3H10N2O3S and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-(methoxyamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(methoxyamino)ethanesulfonamide
PubChem CID87941513
Molecular FormulaC3H10N2O3S
Molecular Weight154.19 g/mol
Exact Mass154.04
IUPAC Name2-(methoxyamino)ethanesulfonamide
SMILESCONCCS(N)(=O)=O
InChIInChI=1S/C3H10N2O3S/c1-8-5-2-3-9(4,6)7/h5H,2-3H2,1H3,(H2,4,6,7)
InChIKeyXSJCJGDBSZEZQT-UHFFFAOYSA-N
XLogP-1.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(methoxyamino)ethanesulfonamide?
The IUPAC name of 2-(methoxyamino)ethanesulfonamide (CID 87941513) is 2-(methoxyamino)ethanesulfonamide.
What is the SMILES notation for 2-(methoxyamino)ethanesulfonamide?
The canonical SMILES for 2-(methoxyamino)ethanesulfonamide is CONCCS(N)(=O)=O.
What is the InChIKey of 2-(methoxyamino)ethanesulfonamide?
The InChIKey is XSJCJGDBSZEZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O3S/c1-8-5-2-3-9(4,6)7/h5H,2-3H2,1H3,(H2,4,6,7).
What are the key properties of 2-(methoxyamino)ethanesulfonamide?
2-(methoxyamino)ethanesulfonamide has a molecular weight of 154.19 g/mol, XLogP of -1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyamino)ethanesulfonamide is sourced from PubChem (CID 87941513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).