ethylamino hydrogen sulfite

C2H7NO3S — CID 151266452

IUPACethylamino hydrogen sulfite
SMILESCCNOS(=O)O
InChIInChI=1S/C2H7NO3S/c1-2-3-6-7(4)5/h3H,2H2,1H3,(H,4,5)
InChIKeyNVLGOWTXUOPLHJ-UHFFFAOYSA-N
MW125.15 g/mol
LogP-0.34
Rot. Bonds3

About ethylamino hydrogen sulfite

ethylamino hydrogen sulfite (PubChem CID 151266452) has the molecular formula C2H7NO3S and a molecular weight of 125.15 g/mol. Its IUPAC name is ethylamino hydrogen sulfite.

Molecular Properties

Compound Nameethylamino hydrogen sulfite
PubChem CID151266452
Molecular FormulaC2H7NO3S
Molecular Weight125.15 g/mol
Exact Mass125.01
IUPAC Nameethylamino hydrogen sulfite
SMILESCCNOS(=O)O
InChIInChI=1S/C2H7NO3S/c1-2-3-6-7(4)5/h3H,2H2,1H3,(H,4,5)
InChIKeyNVLGOWTXUOPLHJ-UHFFFAOYSA-N
XLogP-0.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 ethylamino hydrogen sulfite?
The IUPAC name of ethylamino hydrogen sulfite (CID 151266452) is ethylamino hydrogen sulfite.
What is the SMILES notation for ethylamino hydrogen sulfite?
The canonical SMILES for ethylamino hydrogen sulfite is CCNOS(=O)O.
What is the InChIKey of ethylamino hydrogen sulfite?
The InChIKey is NVLGOWTXUOPLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3S/c1-2-3-6-7(4)5/h3H,2H2,1H3,(H,4,5).
What are the key properties of ethylamino hydrogen sulfite?
ethylamino hydrogen sulfite has a molecular weight of 125.15 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylamino hydrogen sulfite is sourced from PubChem (CID 151266452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).