2-oxidoperoxysulfanylethanamine

C2H6NO3S- — CID 59346052

IUPAC2-oxidoperoxysulfanylethanamine
SMILESNCCSOO[O-]
InChIInChI=1S/C2H7NO3S/c3-1-2-7-6-5-4/h4H,1-3H2/p-1
InChIKeyGSWWFASCQQTKJQ-UHFFFAOYSA-M
MW124.14 g/mol
LogP-1.18
Rot. Bonds4

About 2-oxidoperoxysulfanylethanamine

2-oxidoperoxysulfanylethanamine (PubChem CID 59346052) has the molecular formula C2H6NO3S- and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-oxidoperoxysulfanylethanamine.

Molecular Properties

Compound Name2-oxidoperoxysulfanylethanamine
PubChem CID59346052
Molecular FormulaC2H6NO3S-
Molecular Weight124.14 g/mol
Exact Mass124.01
IUPAC Name2-oxidoperoxysulfanylethanamine
SMILESNCCSOO[O-]
InChIInChI=1S/C2H7NO3S/c3-1-2-7-6-5-4/h4H,1-3H2/p-1
InChIKeyGSWWFASCQQTKJQ-UHFFFAOYSA-M
XLogP-1.18
TPSA67.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxidoperoxysulfanylethanamine?
The IUPAC name of 2-oxidoperoxysulfanylethanamine (CID 59346052) is 2-oxidoperoxysulfanylethanamine.
What is the SMILES notation for 2-oxidoperoxysulfanylethanamine?
The canonical SMILES for 2-oxidoperoxysulfanylethanamine is NCCSOO[O-].
What is the InChIKey of 2-oxidoperoxysulfanylethanamine?
The InChIKey is GSWWFASCQQTKJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7NO3S/c3-1-2-7-6-5-4/h4H,1-3H2/p-1.
What are the key properties of 2-oxidoperoxysulfanylethanamine?
2-oxidoperoxysulfanylethanamine has a molecular weight of 124.14 g/mol, XLogP of -1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxidoperoxysulfanylethanamine is sourced from PubChem (CID 59346052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).