2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine

C15H19N3O3S — CID 110105171

IUPAC2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine
SMILESCc1cnc(C2CN(S(=O)(=O)c3ccccc3C)CCO2)[nH]1
InChIInChI=1S/C15H19N3O3S/c1-11-5-3-4-6-14(11)22(19,20)18-7-8-21-13(10-18)15-16-9-12(2)17-15/h3-6,9,13H,7-8,10H2,1-2H3,(H,16,17)
InChIKeyJLJYBLOHRMTKQP-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.79
Rot. Bonds3

About 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine

2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine (PubChem CID 110105171) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine
PubChem CID110105171
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine
SMILESCc1cnc(C2CN(S(=O)(=O)c3ccccc3C)CCO2)[nH]1
InChIInChI=1S/C15H19N3O3S/c1-11-5-3-4-6-14(11)22(19,20)18-7-8-21-13(10-18)15-16-9-12(2)17-15/h3-6,9,13H,7-8,10H2,1-2H3,(H,16,17)
InChIKeyJLJYBLOHRMTKQP-UHFFFAOYSA-N
XLogP1.79
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 110105191
2-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine
CID 110105040
(2R)-4-(3-methoxyphenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 124971831
4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine
CID 110115458
N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide
CID 110105054
2-(4-methoxyphenyl)-4-(2-methylphenyl)sulfonylmorpholine
CID 110327287
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine
CID 124948100
4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 125005055
4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide
CID 79676830
1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 124972553
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine
CID 124987098
1-(2-methylphenyl)sulfonylaziridine
CID 22214975

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine?
The IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine (CID 110105171) is 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine is Cc1cnc(C2CN(S(=O)(=O)c3ccccc3C)CCO2)[nH]1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine?
The InChIKey is JLJYBLOHRMTKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-5-3-4-6-14(11)22(19,20)18-7-8-21-13(10-18)15-16-9-12(2)17-15/h3-6,9,13H,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine?
2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine has a molecular weight of 321.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 110105171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).