4-(1-ethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine

C11H19N3O3S — CID 6467254

IUPAC4-(1-ethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine
SMILESCCn1cc(S(=O)(=O)N2CC(C)OC(C)C2)cn1
InChIInChI=1S/C11H19N3O3S/c1-4-13-8-11(5-12-13)18(15,16)14-6-9(2)17-10(3)7-14/h5,8-10H,4,6-7H2,1-3H3
InChIKeyUXJJYOFFQNITGZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.70
Rot. Bonds3

About 4-(1-ethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine

4-(1-ethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 6467254) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine
PubChem CID6467254
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4-(1-ethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine
SMILESCCn1cc(S(=O)(=O)N2CC(C)OC(C)C2)cn1
InChIInChI=1S/C11H19N3O3S/c1-4-13-8-11(5-12-13)18(15,16)14-6-9(2)17-10(3)7-14/h5,8-10H,4,6-7H2,1-3H3
InChIKeyUXJJYOFFQNITGZ-UHFFFAOYSA-N
XLogP0.70
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine (CID 6467254) is 4-(1-ethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine is CCn1cc(S(=O)(=O)N2CC(C)OC(C)C2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is UXJJYOFFQNITGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-4-13-8-11(5-12-13)18(15,16)14-6-9(2)17-10(3)7-14/h5,8-10H,4,6-7H2,1-3H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine?
4-(1-ethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 273.36 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 6467254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).