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

C10H17N3O3S — CID 43091264

IUPAC4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylmorpholine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCOC(C)C1
InChIInChI=1S/C10H17N3O3S/c1-7-6-13(4-5-16-7)17(14,15)10-8(2)11-12-9(10)3/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyXLLMJBFHAZTBAO-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.44
Rot. Bonds2

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

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylmorpholine (PubChem CID 43091264) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylmorpholine
PubChem CID43091264
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylmorpholine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCOC(C)C1
InChIInChI=1S/C10H17N3O3S/c1-7-6-13(4-5-16-7)17(14,15)10-8(2)11-12-9(10)3/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyXLLMJBFHAZTBAO-UHFFFAOYSA-N
XLogP0.44
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.44
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-methylmorpholine?
The IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylmorpholine (CID 43091264) is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylmorpholine.
What is the SMILES notation for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylmorpholine?
The canonical SMILES for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylmorpholine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCOC(C)C1.
What is the InChIKey of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylmorpholine?
The InChIKey is XLLMJBFHAZTBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-7-6-13(4-5-16-7)17(14,15)10-8(2)11-12-9(10)3/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylmorpholine?
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methylmorpholine has a molecular weight of 259.33 g/mol, XLogP of 0.44, 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-methylmorpholine is sourced from PubChem (CID 43091264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).