1-(sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane

C3H6F3N2O4S2- — CID 89129498

IUPAC1-(sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane
SMILESO=S([O-])NCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H7F3N2O4S2/c4-3(5,6)14(11,12)8-2-1-7-13(9)10/h7-8H,1-2H2,(H,9,10)/p-1
InChIKeyGQNQKTJMUJEGSI-UHFFFAOYSA-M
MW255.22 g/mol
LogP-1.19
Rot. Bonds5

About 1-(sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane

1-(sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane (PubChem CID 89129498) has the molecular formula C3H6F3N2O4S2- and a molecular weight of 255.22 g/mol. Its IUPAC name is 1-(sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane.

Molecular Properties

Compound Name1-(sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane
PubChem CID89129498
Molecular FormulaC3H6F3N2O4S2-
Molecular Weight255.22 g/mol
Exact Mass254.97
IUPAC Name1-(sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane
SMILESO=S([O-])NCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H7F3N2O4S2/c4-3(5,6)14(11,12)8-2-1-7-13(9)10/h7-8H,1-2H2,(H,9,10)/p-1
InChIKeyGQNQKTJMUJEGSI-UHFFFAOYSA-M
XLogP-1.19
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane?
The IUPAC name of 1-(sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane (CID 89129498) is 1-(sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane.
What is the SMILES notation for 1-(sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane?
The canonical SMILES for 1-(sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane is O=S([O-])NCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-(sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane?
The InChIKey is GQNQKTJMUJEGSI-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7F3N2O4S2/c4-3(5,6)14(11,12)8-2-1-7-13(9)10/h7-8H,1-2H2,(H,9,10)/p-1.
What are the key properties of 1-(sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane?
1-(sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane has a molecular weight of 255.22 g/mol, XLogP of -1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfinatoamino)-2-(trifluoromethylsulfonylamino)ethane is sourced from PubChem (CID 89129498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).