4-[4-(3,5-dimethylpiperidin-1-yl)phenyl]sulfonylmorpholine

C17H26N2O3S — CID 2950233

IUPAC4-[4-(3,5-dimethylpiperidin-1-yl)phenyl]sulfonylmorpholine
SMILESCC1CC(C)CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C17H26N2O3S/c1-14-11-15(2)13-18(12-14)16-3-5-17(6-4-16)23(20,21)19-7-9-22-10-8-19/h3-6,14-15H,7-13H2,1-2H3
InChIKeyTZNXBHJCQDTANV-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.19
Rot. Bonds3

About 4-[4-(3,5-dimethylpiperidin-1-yl)phenyl]sulfonylmorpholine

4-[4-(3,5-dimethylpiperidin-1-yl)phenyl]sulfonylmorpholine (PubChem CID 2950233) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-[4-(3,5-dimethylpiperidin-1-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(3,5-dimethylpiperidin-1-yl)phenyl]sulfonylmorpholine
PubChem CID2950233
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-[4-(3,5-dimethylpiperidin-1-yl)phenyl]sulfonylmorpholine
SMILESCC1CC(C)CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C17H26N2O3S/c1-14-11-15(2)13-18(12-14)16-3-5-17(6-4-16)23(20,21)19-7-9-22-10-8-19/h3-6,14-15H,7-13H2,1-2H3
InChIKeyTZNXBHJCQDTANV-UHFFFAOYSA-N
XLogP2.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethylpiperidin-1-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(3,5-dimethylpiperidin-1-yl)phenyl]sulfonylmorpholine (CID 2950233) is 4-[4-(3,5-dimethylpiperidin-1-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(3,5-dimethylpiperidin-1-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(3,5-dimethylpiperidin-1-yl)phenyl]sulfonylmorpholine is CC1CC(C)CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of 4-[4-(3,5-dimethylpiperidin-1-yl)phenyl]sulfonylmorpholine?
The InChIKey is TZNXBHJCQDTANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14-11-15(2)13-18(12-14)16-3-5-17(6-4-16)23(20,21)19-7-9-22-10-8-19/h3-6,14-15H,7-13H2,1-2H3.
What are the key properties of 4-[4-(3,5-dimethylpiperidin-1-yl)phenyl]sulfonylmorpholine?
4-[4-(3,5-dimethylpiperidin-1-yl)phenyl]sulfonylmorpholine has a molecular weight of 338.47 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethylpiperidin-1-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 2950233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).