2-(methoxyamino)ethanesulfinate

C3H8NO3S- — CID 91155346

IUPAC2-(methoxyamino)ethanesulfinate
SMILESCONCCS(=O)[O-]
InChIInChI=1S/C3H9NO3S/c1-7-4-2-3-8(5)6/h4H,2-3H2,1H3,(H,5,6)/p-1
InChIKeyRBHNHMLTWBNWHQ-UHFFFAOYSA-M
MW138.17 g/mol
LogP-0.98
Rot. Bonds4

About 2-(methoxyamino)ethanesulfinate

2-(methoxyamino)ethanesulfinate (PubChem CID 91155346) has the molecular formula C3H8NO3S- and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-(methoxyamino)ethanesulfinate.

Molecular Properties

Compound Name2-(methoxyamino)ethanesulfinate
PubChem CID91155346
Molecular FormulaC3H8NO3S-
Molecular Weight138.17 g/mol
Exact Mass138.02
IUPAC Name2-(methoxyamino)ethanesulfinate
SMILESCONCCS(=O)[O-]
InChIInChI=1S/C3H9NO3S/c1-7-4-2-3-8(5)6/h4H,2-3H2,1H3,(H,5,6)/p-1
InChIKeyRBHNHMLTWBNWHQ-UHFFFAOYSA-M
XLogP-0.98
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
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'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxyamino)ethanesulfinate?
The IUPAC name of 2-(methoxyamino)ethanesulfinate (CID 91155346) is 2-(methoxyamino)ethanesulfinate.
What is the SMILES notation for 2-(methoxyamino)ethanesulfinate?
The canonical SMILES for 2-(methoxyamino)ethanesulfinate is CONCCS(=O)[O-].
What is the InChIKey of 2-(methoxyamino)ethanesulfinate?
The InChIKey is RBHNHMLTWBNWHQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9NO3S/c1-7-4-2-3-8(5)6/h4H,2-3H2,1H3,(H,5,6)/p-1.
What are the key properties of 2-(methoxyamino)ethanesulfinate?
2-(methoxyamino)ethanesulfinate has a molecular weight of 138.17 g/mol, XLogP of -0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyamino)ethanesulfinate is sourced from PubChem (CID 91155346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).