(2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine

C15H18FN3O3S — CID 166121833

IUPAC(2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](c3cn[nH]c3F)C2)cc1
InChIInChI=1S/C15H18FN3O3S/c1-10-3-5-12(6-4-10)23(20,21)19-8-11(2)22-14(9-19)13-7-17-18-15(13)16/h3-7,11,14H,8-9H2,1-2H3,(H,17,18)/t11-,14-/m1/s1
InChIKeyMINJDGGRUQNKKH-BXUZGUMPSA-N
MW339.39 g/mol
LogP2.01
Rot. Bonds3

About (2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine

(2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine (PubChem CID 166121833) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is (2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine
PubChem CID166121833
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name(2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](c3cn[nH]c3F)C2)cc1
InChIInChI=1S/C15H18FN3O3S/c1-10-3-5-12(6-4-10)23(20,21)19-8-11(2)22-14(9-19)13-7-17-18-15(13)16/h3-7,11,14H,8-9H2,1-2H3,(H,17,18)/t11-,14-/m1/s1
InChIKeyMINJDGGRUQNKKH-BXUZGUMPSA-N
XLogP2.01
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine?
The IUPAC name of (2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine (CID 166121833) is (2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for (2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine?
The canonical SMILES for (2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine is Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](c3cn[nH]c3F)C2)cc1.
What is the InChIKey of (2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine?
The InChIKey is MINJDGGRUQNKKH-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-10-3-5-12(6-4-10)23(20,21)19-8-11(2)22-14(9-19)13-7-17-18-15(13)16/h3-7,11,14H,8-9H2,1-2H3,(H,17,18)/t11-,14-/m1/s1.
What are the key properties of (2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine?
(2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine has a molecular weight of 339.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 166121833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).