4-benzylsulfonyl-2,6-dimethylmorpholine

C13H19NO3S — CID 2853675

IUPAC4-benzylsulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)Cc2ccccc2)CC(C)O1
InChIInChI=1S/C13H19NO3S/c1-11-8-14(9-12(2)17-11)18(15,16)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyQNPFRXDZVWZBGY-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.63
Rot. Bonds3

About 4-benzylsulfonyl-2,6-dimethylmorpholine

4-benzylsulfonyl-2,6-dimethylmorpholine (PubChem CID 2853675) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-benzylsulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-benzylsulfonyl-2,6-dimethylmorpholine
PubChem CID2853675
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-benzylsulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)Cc2ccccc2)CC(C)O1
InChIInChI=1S/C13H19NO3S/c1-11-8-14(9-12(2)17-11)18(15,16)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyQNPFRXDZVWZBGY-UHFFFAOYSA-N
XLogP1.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-benzylsulfonyl-2,6-dimethylmorpholine (CID 2853675) is 4-benzylsulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-benzylsulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-benzylsulfonyl-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)Cc2ccccc2)CC(C)O1.
What is the InChIKey of 4-benzylsulfonyl-2,6-dimethylmorpholine?
The InChIKey is QNPFRXDZVWZBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-8-14(9-12(2)17-11)18(15,16)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3.
What are the key properties of 4-benzylsulfonyl-2,6-dimethylmorpholine?
4-benzylsulfonyl-2,6-dimethylmorpholine has a molecular weight of 269.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 2853675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).