4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine

C11H19N3O3S — CID 17371568

IUPAC4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine
SMILESCc1nn(C)cc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C11H19N3O3S/c1-8-5-14(6-9(2)17-8)18(15,16)11-7-13(4)12-10(11)3/h7-9H,5-6H2,1-4H3
InChIKeyYSSRTPFTZCGYHJ-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.53
Rot. Bonds2

About 4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine

4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 17371568) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine
PubChem CID17371568
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine
SMILESCc1nn(C)cc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C11H19N3O3S/c1-8-5-14(6-9(2)17-8)18(15,16)11-7-13(4)12-10(11)3/h7-9H,5-6H2,1-4H3
InChIKeyYSSRTPFTZCGYHJ-UHFFFAOYSA-N
XLogP0.53
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine (CID 17371568) is 4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine is Cc1nn(C)cc1S(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is YSSRTPFTZCGYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-8-5-14(6-9(2)17-8)18(15,16)11-7-13(4)12-10(11)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine?
4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 273.36 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 17371568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).