(2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine

C16H25N5O3S — CID 129400016

IUPAC(2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine
SMILESCCn1cc([C@@H]2CN(S(=O)(=O)c3cn(CC(C)C)cn3)CCO2)cn1
InChIInChI=1S/C16H25N5O3S/c1-4-20-9-14(7-18-20)15-10-21(5-6-24-15)25(22,23)16-11-19(12-17-16)8-13(2)3/h7,9,11-13,15H,4-6,8,10H2,1-3H3/t15-/m0/s1
InChIKeyUOGRUAXIPYRDKU-HNNXBMFYSA-N
MW367.48 g/mol
LogP1.52
Rot. Bonds6

About (2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine

(2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine (PubChem CID 129400016) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is (2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine.

Molecular Properties

Compound Name(2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine
PubChem CID129400016
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name(2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine
SMILESCCn1cc([C@@H]2CN(S(=O)(=O)c3cn(CC(C)C)cn3)CCO2)cn1
InChIInChI=1S/C16H25N5O3S/c1-4-20-9-14(7-18-20)15-10-21(5-6-24-15)25(22,23)16-11-19(12-17-16)8-13(2)3/h7,9,11-13,15H,4-6,8,10H2,1-3H3/t15-/m0/s1
InChIKeyUOGRUAXIPYRDKU-HNNXBMFYSA-N
XLogP1.52
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine?
The IUPAC name of (2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine (CID 129400016) is (2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine.
What is the SMILES notation for (2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine?
The canonical SMILES for (2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine is CCn1cc([C@@H]2CN(S(=O)(=O)c3cn(CC(C)C)cn3)CCO2)cn1.
What is the InChIKey of (2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine?
The InChIKey is UOGRUAXIPYRDKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-4-20-9-14(7-18-20)15-10-21(5-6-24-15)25(22,23)16-11-19(12-17-16)8-13(2)3/h7,9,11-13,15H,4-6,8,10H2,1-3H3/t15-/m0/s1.
What are the key properties of (2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine?
(2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine has a molecular weight of 367.48 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine is sourced from PubChem (CID 129400016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).