3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide

C6H10F3NO6S2 — CID 102490574

IUPAC3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCOC1CO1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO6S2/c7-6(8,9)18(13,14)10-17(11,12)3-1-2-15-5-4-16-5/h5,10H,1-4H2
InChIKeyZFDFZXJWGRNKEP-UHFFFAOYSA-N
MW313.28 g/mol
LogP-0.48
Rot. Bonds7

About 3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide

3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide (PubChem CID 102490574) has the molecular formula C6H10F3NO6S2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
PubChem CID102490574
Molecular FormulaC6H10F3NO6S2
Molecular Weight313.28 g/mol
Exact Mass312.99
IUPAC Name3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCOC1CO1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO6S2/c7-6(8,9)18(13,14)10-17(11,12)3-1-2-15-5-4-16-5/h5,10H,1-4H2
InChIKeyZFDFZXJWGRNKEP-UHFFFAOYSA-N
XLogP-0.48
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 ≤ 5-0.48
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

2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 164777576
3-bromo-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 174191027
11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide
CID 158263815
3-(trifluoromethylsulfonylsulfamoyl)propyl 2-methylprop-2-enoate
CID 58364089
5-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
CID 153300698
indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280
[3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate
CID 167078247
N-[2-[(2-oxooxolan-3-yl)amino]ethyl]-N'-(trifluoromethylsulfonyl)propane-1,3-disulfonamide
CID 138622814
2-(trifluoromethylsulfonylsulfamoyl)ethyl 2-methylprop-2-enoate
CID 88911957
2-(2-ethenoxyethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 59046676
copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 161328389
copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate
CID 175971884

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide?
The IUPAC name of 3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide (CID 102490574) is 3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide?
The canonical SMILES for 3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide is O=S(=O)(CCCOC1CO1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide?
The InChIKey is ZFDFZXJWGRNKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO6S2/c7-6(8,9)18(13,14)10-17(11,12)3-1-2-15-5-4-16-5/h5,10H,1-4H2.
What are the key properties of 3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide?
3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide has a molecular weight of 313.28 g/mol, XLogP of -0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide is sourced from PubChem (CID 102490574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).