4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine

C11H19N3O3S — CID 43544982

IUPAC4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CC(C)OCC1C
InChIInChI=1S/C11H19N3O3S/c1-7-6-17-8(2)5-14(7)18(15,16)11-9(3)12-13-10(11)4/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKeyJSNGZIHFUYJBIW-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.82
Rot. Bonds2

About 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine (PubChem CID 43544982) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine
PubChem CID43544982
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CC(C)OCC1C
InChIInChI=1S/C11H19N3O3S/c1-7-6-17-8(2)5-14(7)18(15,16)11-9(3)12-13-10(11)4/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKeyJSNGZIHFUYJBIW-UHFFFAOYSA-N
XLogP0.82
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine?
The IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine (CID 43544982) is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine.
What is the SMILES notation for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine?
The canonical SMILES for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine is Cc1n[nH]c(C)c1S(=O)(=O)N1CC(C)OCC1C.
What is the InChIKey of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine?
The InChIKey is JSNGZIHFUYJBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-7-6-17-8(2)5-14(7)18(15,16)11-9(3)12-13-10(11)4/h7-8H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine?
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine has a molecular weight of 273.36 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine is sourced from PubChem (CID 43544982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).