(2,6-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-4-yl)methanone

C15H28N2O4S — CID 6471958

IUPAC(2,6-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
SMILESCCCS(=O)(=O)N1CCC(C(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C15H28N2O4S/c1-4-9-22(19,20)17-7-5-14(6-8-17)15(18)16-10-12(2)21-13(3)11-16/h12-14H,4-11H2,1-3H3
InChIKeyPGBXAWXAWCJZLY-UHFFFAOYSA-N
MW332.47 g/mol
LogP1.07
Rot. Bonds4

About (2,6-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-4-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-4-yl)methanone (PubChem CID 6471958) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
PubChem CID6471958
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
SMILESCCCS(=O)(=O)N1CCC(C(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C15H28N2O4S/c1-4-9-22(19,20)17-7-5-14(6-8-17)15(18)16-10-12(2)21-13(3)11-16/h12-14H,4-11H2,1-3H3
InChIKeyPGBXAWXAWCJZLY-UHFFFAOYSA-N
XLogP1.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.07
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-propylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-4-yl)methanone (CID 6471958) is (2,6-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-4-yl)methanone is CCCS(=O)(=O)N1CCC(C(=O)N2CC(C)OC(C)C2)CC1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-4-yl)methanone?
The InChIKey is PGBXAWXAWCJZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-4-9-22(19,20)17-7-5-14(6-8-17)15(18)16-10-12(2)21-13(3)11-16/h12-14H,4-11H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-4-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(1-propylsulfonylpiperidin-4-yl)methanone has a molecular weight of 332.47 g/mol, XLogP of 1.07, 4 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-propylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 6471958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).