4-(1-ethylpyrazol-4-yl)sulfonylmorpholine

C9H15N3O3S — CID 6466654

IUPAC4-(1-ethylpyrazol-4-yl)sulfonylmorpholine
SMILESCCn1cc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C9H15N3O3S/c1-2-11-8-9(7-10-11)16(13,14)12-3-5-15-6-4-12/h7-8H,2-6H2,1H3
InChIKeyJFGMGBJUJQMDNM-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.08
Rot. Bonds3

About 4-(1-ethylpyrazol-4-yl)sulfonylmorpholine

4-(1-ethylpyrazol-4-yl)sulfonylmorpholine (PubChem CID 6466654) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)sulfonylmorpholine
PubChem CID6466654
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name4-(1-ethylpyrazol-4-yl)sulfonylmorpholine
SMILESCCn1cc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C9H15N3O3S/c1-2-11-8-9(7-10-11)16(13,14)12-3-5-15-6-4-12/h7-8H,2-6H2,1H3
InChIKeyJFGMGBJUJQMDNM-UHFFFAOYSA-N
XLogP-0.08
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.08
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)sulfonylmorpholine?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)sulfonylmorpholine (CID 6466654) is 4-(1-ethylpyrazol-4-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)sulfonylmorpholine?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)sulfonylmorpholine is CCn1cc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)sulfonylmorpholine?
The InChIKey is JFGMGBJUJQMDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-2-11-8-9(7-10-11)16(13,14)12-3-5-15-6-4-12/h7-8H,2-6H2,1H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)sulfonylmorpholine?
4-(1-ethylpyrazol-4-yl)sulfonylmorpholine has a molecular weight of 245.30 g/mol, XLogP of -0.08, 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)sulfonylmorpholine is sourced from PubChem (CID 6466654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).