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

C12H21N3O3S — CID 17375833

IUPAC4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine
SMILESCCn1cc(S(=O)(=O)N2CC(C)OC(C)C2)c(C)n1
InChIInChI=1S/C12H21N3O3S/c1-5-14-8-12(11(4)13-14)19(16,17)15-6-9(2)18-10(3)7-15/h8-10H,5-7H2,1-4H3
InChIKeyJYPCPNKKQPNZEO-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.01
Rot. Bonds3

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

4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 17375833) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine
PubChem CID17375833
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine
SMILESCCn1cc(S(=O)(=O)N2CC(C)OC(C)C2)c(C)n1
InChIInChI=1S/C12H21N3O3S/c1-5-14-8-12(11(4)13-14)19(16,17)15-6-9(2)18-10(3)7-15/h8-10H,5-7H2,1-4H3
InChIKeyJYPCPNKKQPNZEO-UHFFFAOYSA-N
XLogP1.01
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine (CID 17375833) is 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine is CCn1cc(S(=O)(=O)N2CC(C)OC(C)C2)c(C)n1.
What is the InChIKey of 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is JYPCPNKKQPNZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-5-14-8-12(11(4)13-14)19(16,17)15-6-9(2)18-10(3)7-15/h8-10H,5-7H2,1-4H3.
What are the key properties of 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine?
4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 287.39 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 17375833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).