4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine

C14H28N2O3S — CID 71885008

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine
SMILESCC1CC(C)CN(S(=O)(=O)N2CC(C)OC(C)(C)C2)C1
InChIInChI=1S/C14H28N2O3S/c1-11-6-12(2)8-15(7-11)20(17,18)16-9-13(3)19-14(4,5)10-16/h11-13H,6-10H2,1-5H3
InChIKeyHUPGRYLUQWABKD-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.71
Rot. Bonds2

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine (PubChem CID 71885008) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine
PubChem CID71885008
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine
SMILESCC1CC(C)CN(S(=O)(=O)N2CC(C)OC(C)(C)C2)C1
InChIInChI=1S/C14H28N2O3S/c1-11-6-12(2)8-15(7-11)20(17,18)16-9-13(3)19-14(4,5)10-16/h11-13H,6-10H2,1-5H3
InChIKeyHUPGRYLUQWABKD-UHFFFAOYSA-N
XLogP1.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine (CID 71885008) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine is CC1CC(C)CN(S(=O)(=O)N2CC(C)OC(C)(C)C2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine?
The InChIKey is HUPGRYLUQWABKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-11-6-12(2)8-15(7-11)20(17,18)16-9-13(3)19-14(4,5)10-16/h11-13H,6-10H2,1-5H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine has a molecular weight of 304.46 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine is sourced from PubChem (CID 71885008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).