4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine

C18H28N2O2S — CID 146666638

IUPAC4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine
SMILESCc1cc(C)c(S(=O)N2CCC(N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C18H28N2O2S/c1-14-12-15(2)18(16(3)13-14)23(21)20-6-4-17(5-7-20)19-8-10-22-11-9-19/h12-13,17H,4-11H2,1-3H3
InChIKeyZWPUHWTZFXGZBU-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.43
Rot. Bonds3

About 4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine

4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine (PubChem CID 146666638) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine
PubChem CID146666638
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine
SMILESCc1cc(C)c(S(=O)N2CCC(N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C18H28N2O2S/c1-14-12-15(2)18(16(3)13-14)23(21)20-6-4-17(5-7-20)19-8-10-22-11-9-19/h12-13,17H,4-11H2,1-3H3
InChIKeyZWPUHWTZFXGZBU-UHFFFAOYSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine (CID 146666638) is 4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine is Cc1cc(C)c(S(=O)N2CCC(N3CCOCC3)CC2)c(C)c1.
What is the InChIKey of 4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine?
The InChIKey is ZWPUHWTZFXGZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-14-12-15(2)18(16(3)13-14)23(21)20-6-4-17(5-7-20)19-8-10-22-11-9-19/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine?
4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine has a molecular weight of 336.50 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine is sourced from PubChem (CID 146666638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).