4-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl]morpholine

C18H22N2O3S — CID 1487434

IUPAC4-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl]morpholine
SMILESCc1ccc(S(=O)(=O)c2c(C)cc(C)nc2N2CCOCC2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-4-6-16(7-5-13)24(21,22)17-14(2)12-15(3)19-18(17)20-8-10-23-11-9-20/h4-7,12H,8-11H2,1-3H3
InChIKeyCHWPFAJBLHRKQM-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.68
Rot. Bonds3

About 4-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl]morpholine

4-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl]morpholine (PubChem CID 1487434) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl]morpholine
PubChem CID1487434
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl]morpholine
SMILESCc1ccc(S(=O)(=O)c2c(C)cc(C)nc2N2CCOCC2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-4-6-16(7-5-13)24(21,22)17-14(2)12-15(3)19-18(17)20-8-10-23-11-9-20/h4-7,12H,8-11H2,1-3H3
InChIKeyCHWPFAJBLHRKQM-UHFFFAOYSA-N
XLogP2.68
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl]morpholine?
The IUPAC name of 4-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl]morpholine (CID 1487434) is 4-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl]morpholine is Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2N2CCOCC2)cc1.
What is the InChIKey of 4-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl]morpholine?
The InChIKey is CHWPFAJBLHRKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-4-6-16(7-5-13)24(21,22)17-14(2)12-15(3)19-18(17)20-8-10-23-11-9-20/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 4-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl]morpholine?
4-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl]morpholine has a molecular weight of 346.45 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyridinyl]morpholine is sourced from PubChem (CID 1487434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).