(2,6-dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone

C19H28N2O4S — CID 6458429

IUPAC(2,6-dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-14-4-6-18(7-5-14)26(23,24)21-10-8-17(9-11-21)19(22)20-12-15(2)25-16(3)13-20/h4-7,15-17H,8-13H2,1-3H3
InChIKeyVDUUPXOYLSHQHR-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.03
Rot. Bonds3

About (2,6-dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 6458429) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID6458429
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-14-4-6-18(7-5-14)26(23,24)21-10-8-17(9-11-21)19(22)20-12-15(2)25-16(3)13-20/h4-7,15-17H,8-13H2,1-3H3
InChIKeyVDUUPXOYLSHQHR-UHFFFAOYSA-N
XLogP2.03
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone (CID 6458429) is (2,6-dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)cc1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is VDUUPXOYLSHQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-14-4-6-18(7-5-14)26(23,24)21-10-8-17(9-11-21)19(22)20-12-15(2)25-16(3)13-20/h4-7,15-17H,8-13H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 380.51 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 6458429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).