[3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate

C9H14F3NO7S2 — CID 167078247

IUPAC[3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)OC1CCC(OCC2CO2)C1
InChIInChI=1S/C9H14F3NO7S2/c10-9(11,12)21(14,15)13-22(16,17)20-7-2-1-6(3-7)18-4-8-5-19-8/h6-8,13H,1-5H2
InChIKeyOIKNQNHCTWFKCI-UHFFFAOYSA-N
MW369.34 g/mol
LogP0.02
Rot. Bonds7

About [3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate

[3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate (PubChem CID 167078247) has the molecular formula C9H14F3NO7S2 and a molecular weight of 369.34 g/mol. Its IUPAC name is [3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate.

Molecular Properties

Compound Name[3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate
PubChem CID167078247
Molecular FormulaC9H14F3NO7S2
Molecular Weight369.34 g/mol
Exact Mass369.02
IUPAC Name[3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)OC1CCC(OCC2CO2)C1
InChIInChI=1S/C9H14F3NO7S2/c10-9(11,12)21(14,15)13-22(16,17)20-7-2-1-6(3-7)18-4-8-5-19-8/h6-8,13H,1-5H2
InChIKeyOIKNQNHCTWFKCI-UHFFFAOYSA-N
XLogP0.02
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid
CID 165102212
2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 164777576
7-oxabicyclo[2.2.1]heptan-2-yl N-(trifluoromethylsulfonyl)sulfamate
CID 122661135
1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonyl]oxyethanesulfonic acid
CID 164777696
5-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 164777715
3-(oxiran-2-ylmethoxy)cyclohexan-1-ol
CID 118671193
3-(oxiran-2-yloxy)-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 102490574
3-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 164777418
[4-[4-(thian-1-ium-1-yl)phenoxy]cyclohexyl] N-(trifluoromethylsulfonyl)sulfamate
CID 140753253
2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine
CID 174996449
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89323282
2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane
CID 139990267

Frequently Asked Questions

What is the IUPAC name of [3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate?
The IUPAC name of [3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate (CID 167078247) is [3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate.
What is the SMILES notation for [3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate?
The canonical SMILES for [3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate is O=S(=O)(NS(=O)(=O)C(F)(F)F)OC1CCC(OCC2CO2)C1.
What is the InChIKey of [3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate?
The InChIKey is OIKNQNHCTWFKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO7S2/c10-9(11,12)21(14,15)13-22(16,17)20-7-2-1-6(3-7)18-4-8-5-19-8/h6-8,13H,1-5H2.
What are the key properties of [3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate?
[3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate has a molecular weight of 369.34 g/mol, XLogP of 0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxiran-2-ylmethoxy)cyclopentyl] N-(trifluoromethylsulfonyl)sulfamate is sourced from PubChem (CID 167078247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).