3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide

C9H15F3NO7S2- — CID 164777413

IUPAC3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)(CCCOCCOCC1CO1)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H15F3NO7S2/c10-9(11,12)22(16,17)13-21(14,15)5-1-2-18-3-4-19-6-8-7-20-8/h8H,1-7H2/q-1
InChIKeyVAKVTUBJNLWDHJ-UHFFFAOYSA-N
MW370.35 g/mol
LogP0.36
Rot. Bonds11

About 3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide

3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 164777413) has the molecular formula C9H15F3NO7S2- and a molecular weight of 370.35 g/mol. Its IUPAC name is 3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID164777413
Molecular FormulaC9H15F3NO7S2-
Molecular Weight370.35 g/mol
Exact Mass370.02
IUPAC Name3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)(CCCOCCOCC1CO1)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H15F3NO7S2/c10-9(11,12)22(16,17)13-21(14,15)5-1-2-18-3-4-19-6-8-7-20-8/h8H,1-7H2/q-1
InChIKeyVAKVTUBJNLWDHJ-UHFFFAOYSA-N
XLogP0.36
TPSA113.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
1,1,2,2-tetrafluoro-5-(oxiran-2-ylmethoxy)pentane-1-sulfonic acid
CID 164777532
2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 164777576
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
CID 101393644
(2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane
CID 98041590
trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-λ4-sulfane
CID 144672879
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154070356
2-[2-[2-(cyclopropylmethoxy)ethoxy]ethoxymethyl]oxirane
CID 89079137

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of 3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide (CID 164777413) is 3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide is O=S(=O)(CCCOCCOCC1CO1)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is VAKVTUBJNLWDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3NO7S2/c10-9(11,12)22(16,17)13-21(14,15)5-1-2-18-3-4-19-6-8-7-20-8/h8H,1-7H2/q-1.
What are the key properties of 3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide?
3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 370.35 g/mol, XLogP of 0.36, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 164777413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).