4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine

C18H28N2O3S — CID 660759

IUPAC4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine
SMILESCC1CN(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC(C)O1
InChIInChI=1S/C18H28N2O3S/c1-15-12-19(13-16(2)23-15)18-8-10-20(11-9-18)24(21,22)14-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3
InChIKeyJMVYXOPKPKIJOX-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.09
Rot. Bonds4

About 4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine

4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine (PubChem CID 660759) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine
PubChem CID660759
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine
SMILESCC1CN(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC(C)O1
InChIInChI=1S/C18H28N2O3S/c1-15-12-19(13-16(2)23-15)18-8-10-20(11-9-18)24(21,22)14-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3
InChIKeyJMVYXOPKPKIJOX-UHFFFAOYSA-N
XLogP2.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine (CID 660759) is 4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine is CC1CN(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC(C)O1.
What is the InChIKey of 4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine?
The InChIKey is JMVYXOPKPKIJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-15-12-19(13-16(2)23-15)18-8-10-20(11-9-18)24(21,22)14-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3.
What are the key properties of 4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine?
4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine has a molecular weight of 352.50 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 660759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).