4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine

C16H19N3O3S — CID 110115458

IUPAC4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine
SMILESCc1ccnc(C2CN(S(=O)(=O)c3ccccc3C)CCO2)n1
InChIInChI=1S/C16H19N3O3S/c1-12-5-3-4-6-15(12)23(20,21)19-9-10-22-14(11-19)16-17-8-7-13(2)18-16/h3-8,14H,9-11H2,1-2H3
InChIKeyTUYTZJQJXVMHCW-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.86
Rot. Bonds3

About 4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine

4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine (PubChem CID 110115458) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine
PubChem CID110115458
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine
SMILESCc1ccnc(C2CN(S(=O)(=O)c3ccccc3C)CCO2)n1
InChIInChI=1S/C16H19N3O3S/c1-12-5-3-4-6-15(12)23(20,21)19-9-10-22-14(11-19)16-17-8-7-13(2)18-16/h3-8,14H,9-11H2,1-2H3
InChIKeyTUYTZJQJXVMHCW-UHFFFAOYSA-N
XLogP1.86
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine?
The IUPAC name of 4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine (CID 110115458) is 4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine is Cc1ccnc(C2CN(S(=O)(=O)c3ccccc3C)CCO2)n1.
What is the InChIKey of 4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine?
The InChIKey is TUYTZJQJXVMHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-5-3-4-6-15(12)23(20,21)19-9-10-22-14(11-19)16-17-8-7-13(2)18-16/h3-8,14H,9-11H2,1-2H3.
What are the key properties of 4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine?
4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine has a molecular weight of 333.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 110115458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).