N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide

C8H12F3NO5S — CID 167083330

IUPACN-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide
SMILESCC(OCC1CO1)C(=O)N(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO5S/c1-5(16-3-6-4-17-6)7(13)12(2)18(14,15)8(9,10)11/h5-6H,3-4H2,1-2H3
InChIKeyCOXDBOATWLHNRN-UHFFFAOYSA-N
MW291.25 g/mol
LogP0.10
Rot. Bonds5

About N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide

N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide (PubChem CID 167083330) has the molecular formula C8H12F3NO5S and a molecular weight of 291.25 g/mol. Its IUPAC name is N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide.

Molecular Properties

Compound NameN-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide
PubChem CID167083330
Molecular FormulaC8H12F3NO5S
Molecular Weight291.25 g/mol
Exact Mass291.04
IUPAC NameN-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide
SMILESCC(OCC1CO1)C(=O)N(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO5S/c1-5(16-3-6-4-17-6)7(13)12(2)18(14,15)8(9,10)11/h5-6H,3-4H2,1-2H3
InChIKeyCOXDBOATWLHNRN-UHFFFAOYSA-N
XLogP0.10
TPSA76.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)acetamide
CID 167083285
N-methyl-2-[(2-methyloxiran-2-yl)methoxy]-N-(trifluoromethylsulfonyl)acetamide
CID 167083374

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide?
The IUPAC name of N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide (CID 167083330) is N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide.
What is the SMILES notation for N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide?
The canonical SMILES for N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide is CC(OCC1CO1)C(=O)N(C)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide?
The InChIKey is COXDBOATWLHNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO5S/c1-5(16-3-6-4-17-6)7(13)12(2)18(14,15)8(9,10)11/h5-6H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide?
N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide has a molecular weight of 291.25 g/mol, XLogP of 0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)propanamide is sourced from PubChem (CID 167083330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).