2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide

C6H10F3NO6S2 — CID 164777576

IUPAC2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESO=S(=O)(CCOCC1CO1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO6S2/c7-6(8,9)18(13,14)10-17(11,12)2-1-15-3-5-4-16-5/h5,10H,1-4H2
InChIKeyWMKHQQYEKLGHIQ-UHFFFAOYSA-N
MW313.28 g/mol
LogP-0.83
Rot. Bonds7

About 2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide

2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide (PubChem CID 164777576) has the molecular formula C6H10F3NO6S2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
PubChem CID164777576
Molecular FormulaC6H10F3NO6S2
Molecular Weight313.28 g/mol
Exact Mass312.99
IUPAC Name2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESO=S(=O)(CCOCC1CO1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO6S2/c7-6(8,9)18(13,14)10-17(11,12)2-1-15-3-5-4-16-5/h5,10H,1-4H2
InChIKeyWMKHQQYEKLGHIQ-UHFFFAOYSA-N
XLogP-0.83
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 102490574
2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide
CID 167083292
3-[2-(oxiran-2-ylmethoxy)ethoxy]propylsulfonyl-(trifluoromethylsulfonyl)azanide
CID 164777413
[3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate
CID 167078247
1,1,2,2-tetrafluoro-5-(oxiran-2-ylmethoxy)pentane-1-sulfonic acid
CID 164777532
3-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 164777418
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-[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
4-(oxiran-2-ylmethoxy)butanal
CID 130035939
N-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide
CID 57207034
1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea
CID 89261056
1,1-difluoro-2-[3-(oxiran-2-ylmethoxy)propanoyloxy]propane-1-sulfonic acid
CID 165023301

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The IUPAC name of 2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide (CID 164777576) is 2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for 2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The canonical SMILES for 2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide is O=S(=O)(CCOCC1CO1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The InChIKey is WMKHQQYEKLGHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO6S2/c7-6(8,9)18(13,14)10-17(11,12)2-1-15-3-5-4-16-5/h5,10H,1-4H2.
What are the key properties of 2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide?
2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide has a molecular weight of 313.28 g/mol, XLogP of -0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 164777576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).