2-(methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine

C11H16F3N3O4S — CID 167905281

IUPAC2-(methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine
SMILESCOCC1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CCO1
InChIInChI=1S/C11H16F3N3O4S/c1-20-7-9-5-17(2-3-21-9)22(18,19)10-4-15-16(6-10)8-11(12,13)14/h4,6,9H,2-3,5,7-8H2,1H3
InChIKeyVURZVSQZSAQUNJ-UHFFFAOYSA-N
MW343.33 g/mol
LogP0.48
Rot. Bonds5

About 2-(methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine

2-(methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine (PubChem CID 167905281) has the molecular formula C11H16F3N3O4S and a molecular weight of 343.33 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine
PubChem CID167905281
Molecular FormulaC11H16F3N3O4S
Molecular Weight343.33 g/mol
Exact Mass343.08
IUPAC Name2-(methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine
SMILESCOCC1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CCO1
InChIInChI=1S/C11H16F3N3O4S/c1-20-7-9-5-17(2-3-21-9)22(18,19)10-4-15-16(6-10)8-11(12,13)14/h4,6,9H,2-3,5,7-8H2,1H3
InChIKeyVURZVSQZSAQUNJ-UHFFFAOYSA-N
XLogP0.48
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine?
The IUPAC name of 2-(methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine (CID 167905281) is 2-(methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine.
What is the SMILES notation for 2-(methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine?
The canonical SMILES for 2-(methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine is COCC1CN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CCO1.
What is the InChIKey of 2-(methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine?
The InChIKey is VURZVSQZSAQUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O4S/c1-20-7-9-5-17(2-3-21-9)22(18,19)10-4-15-16(6-10)8-11(12,13)14/h4,6,9H,2-3,5,7-8H2,1H3.
What are the key properties of 2-(methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine?
2-(methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine has a molecular weight of 343.33 g/mol, XLogP of 0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylmorpholine is sourced from PubChem (CID 167905281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).