4-[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylthiomorpholine

C16H18N2O3S2 — CID 72899455

IUPAC4-[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylthiomorpholine
SMILESCOc1cccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)n1
InChIInChI=1S/C16H18N2O3S2/c1-21-16-4-2-3-15(17-16)13-5-7-14(8-6-13)23(19,20)18-9-11-22-12-10-18/h2-8H,9-12H2,1H3
InChIKeyRCJZOWYHDFUPFL-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.49
Rot. Bonds4

About 4-[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylthiomorpholine

4-[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylthiomorpholine (PubChem CID 72899455) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylthiomorpholine.

Molecular Properties

Compound Name4-[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylthiomorpholine
PubChem CID72899455
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name4-[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylthiomorpholine
SMILESCOc1cccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)n1
InChIInChI=1S/C16H18N2O3S2/c1-21-16-4-2-3-15(17-16)13-5-7-14(8-6-13)23(19,20)18-9-11-22-12-10-18/h2-8H,9-12H2,1H3
InChIKeyRCJZOWYHDFUPFL-UHFFFAOYSA-N
XLogP2.49
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylthiomorpholine?
The IUPAC name of 4-[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylthiomorpholine (CID 72899455) is 4-[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylthiomorpholine.
What is the SMILES notation for 4-[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylthiomorpholine?
The canonical SMILES for 4-[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylthiomorpholine is COc1cccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)n1.
What is the InChIKey of 4-[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylthiomorpholine?
The InChIKey is RCJZOWYHDFUPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-21-16-4-2-3-15(17-16)13-5-7-14(8-6-13)23(19,20)18-9-11-22-12-10-18/h2-8H,9-12H2,1H3.
What are the key properties of 4-[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylthiomorpholine?
4-[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylthiomorpholine has a molecular weight of 350.47 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylthiomorpholine is sourced from PubChem (CID 72899455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).