1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane

C4H9F3N2O4S2 — CID 20705388

IUPAC1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane
SMILESCCCNS(=O)(O)=NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9F3N2O4S2/c1-2-3-8-15(12,13)9-14(10,11)4(5,6)7/h2-3H2,1H3,(H2,8,9,12,13)
InChIKeyDPRZOJPPYVJCQT-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.69
Rot. Bonds4

About 1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane

1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane (PubChem CID 20705388) has the molecular formula C4H9F3N2O4S2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane.

Molecular Properties

Compound Name1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane
PubChem CID20705388
Molecular FormulaC4H9F3N2O4S2
Molecular Weight270.25 g/mol
Exact Mass270.00
IUPAC Name1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane
SMILESCCCNS(=O)(O)=NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9F3N2O4S2/c1-2-3-8-15(12,13)9-14(10,11)4(5,6)7/h2-3H2,1H3,(H2,8,9,12,13)
InChIKeyDPRZOJPPYVJCQT-UHFFFAOYSA-N
XLogP0.69
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane?
The IUPAC name of 1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane (CID 20705388) is 1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane.
What is the SMILES notation for 1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane?
The canonical SMILES for 1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane is CCCNS(=O)(O)=NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane?
The InChIKey is DPRZOJPPYVJCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O4S2/c1-2-3-8-15(12,13)9-14(10,11)4(5,6)7/h2-3H2,1H3,(H2,8,9,12,13).
What are the key properties of 1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane?
1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane has a molecular weight of 270.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane is sourced from PubChem (CID 20705388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).