4-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]morpholine

C16H22N2O4S — CID 71941387

IUPAC4-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]morpholine
SMILESCOc1ccc(C2=CCN(S(=O)(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C16H22N2O4S/c1-21-16-4-2-14(3-5-16)15-6-8-17(9-7-15)23(19,20)18-10-12-22-13-11-18/h2-6H,7-13H2,1H3
InChIKeyVSXXQMJCPGQPMF-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.36
Rot. Bonds4

About 4-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]morpholine

4-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]morpholine (PubChem CID 71941387) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]morpholine
PubChem CID71941387
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name4-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]morpholine
SMILESCOc1ccc(C2=CCN(S(=O)(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C16H22N2O4S/c1-21-16-4-2-14(3-5-16)15-6-8-17(9-7-15)23(19,20)18-10-12-22-13-11-18/h2-6H,7-13H2,1H3
InChIKeyVSXXQMJCPGQPMF-UHFFFAOYSA-N
XLogP1.36
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]morpholine?
The IUPAC name of 4-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]morpholine (CID 71941387) is 4-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]morpholine?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]morpholine is COc1ccc(C2=CCN(S(=O)(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]morpholine?
The InChIKey is VSXXQMJCPGQPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-21-16-4-2-14(3-5-16)15-6-8-17(9-7-15)23(19,20)18-10-12-22-13-11-18/h2-6H,7-13H2,1H3.
What are the key properties of 4-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]morpholine?
4-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]morpholine has a molecular weight of 338.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]morpholine is sourced from PubChem (CID 71941387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).