2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide

C11H18F3NO5S — CID 167083292

IUPAC2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide
SMILESCC(CCCCOCC1CO1)C(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H18F3NO5S/c1-8(4-2-3-5-19-6-9-7-20-9)10(16)15-21(17,18)11(12,13)14/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyCHLZUHGMIYURLC-UHFFFAOYSA-N
MW333.33 g/mol
LogP1.17
Rot. Bonds9

About 2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide

2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide (PubChem CID 167083292) has the molecular formula C11H18F3NO5S and a molecular weight of 333.33 g/mol. Its IUPAC name is 2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide.

Molecular Properties

Compound Name2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide
PubChem CID167083292
Molecular FormulaC11H18F3NO5S
Molecular Weight333.33 g/mol
Exact Mass333.09
IUPAC Name2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide
SMILESCC(CCCCOCC1CO1)C(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H18F3NO5S/c1-8(4-2-3-5-19-6-9-7-20-9)10(16)15-21(17,18)11(12,13)14/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyCHLZUHGMIYURLC-UHFFFAOYSA-N
XLogP1.17
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
2-(9-methylundecoxymethyl)oxirane
CID 167130784
3-(oxiran-2-ylmethoxy)propyl 2-methylbutanoate
CID 164730265
2-(5-methylheptoxymethyl)oxirane;propane-1,2,3-triol
CID 174940930
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-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
1,1,2,2-tetrafluoro-5-(oxiran-2-ylmethoxy)pentane-1-sulfonic acid
CID 164777532
1,1-difluoro-2-[3-(oxiran-2-ylmethoxy)propanoyloxy]propane-1-sulfonic acid
CID 165023301
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
1-methoxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propan-2-ol;2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane
CID 162098827
dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-(5,6,6-trimethylheptyl)-λ4-sulfane
CID 174333387

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide?
The IUPAC name of 2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide (CID 167083292) is 2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide.
What is the SMILES notation for 2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide?
The canonical SMILES for 2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide is CC(CCCCOCC1CO1)C(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide?
The InChIKey is CHLZUHGMIYURLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO5S/c1-8(4-2-3-5-19-6-9-7-20-9)10(16)15-21(17,18)11(12,13)14/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide?
2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide has a molecular weight of 333.33 g/mol, XLogP of 1.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)hexanamide is sourced from PubChem (CID 167083292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).