acetamido sulfite

C2H4NO4S- — CID 22164066

IUPACacetamido sulfite
SMILESCC(=O)NOS(=O)[O-]
InChIInChI=1S/C2H5NO4S/c1-2(4)3-7-8(5)6/h1H3,(H,3,4)(H,5,6)/p-1
InChIKeyXEPMFKBWFFRGKY-UHFFFAOYSA-M
MW138.12 g/mol
LogP-1.15
Rot. Bonds2

About acetamido sulfite

acetamido sulfite (PubChem CID 22164066) has the molecular formula C2H4NO4S- and a molecular weight of 138.12 g/mol. Its IUPAC name is acetamido sulfite.

Molecular Properties

Compound Nameacetamido sulfite
PubChem CID22164066
Molecular FormulaC2H4NO4S-
Molecular Weight138.12 g/mol
Exact Mass137.99
IUPAC Nameacetamido sulfite
SMILESCC(=O)NOS(=O)[O-]
InChIInChI=1S/C2H5NO4S/c1-2(4)3-7-8(5)6/h1H3,(H,3,4)(H,5,6)/p-1
InChIKeyXEPMFKBWFFRGKY-UHFFFAOYSA-M
XLogP-1.15
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 acetamido sulfite?
The IUPAC name of acetamido sulfite (CID 22164066) is acetamido sulfite.
What is the SMILES notation for acetamido sulfite?
The canonical SMILES for acetamido sulfite is CC(=O)NOS(=O)[O-].
What is the InChIKey of acetamido sulfite?
The InChIKey is XEPMFKBWFFRGKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5NO4S/c1-2(4)3-7-8(5)6/h1H3,(H,3,4)(H,5,6)/p-1.
What are the key properties of acetamido sulfite?
acetamido sulfite has a molecular weight of 138.12 g/mol, XLogP of -1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamido sulfite is sourced from PubChem (CID 22164066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).