morpholin-4-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone

C19H28N2O4S — CID 2986162

IUPACmorpholin-4-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)c(C)c1
InChIInChI=1S/C19H28N2O4S/c1-14-11-15(2)18(16(3)12-14)26(23,24)21-6-4-5-17(13-21)19(22)20-7-9-25-10-8-20/h11-12,17H,4-10,13H2,1-3H3
InChIKeyATSCFNFYBOASMB-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.87
Rot. Bonds3

About morpholin-4-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone

morpholin-4-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone (PubChem CID 2986162) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is morpholin-4-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone
PubChem CID2986162
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Namemorpholin-4-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)c(C)c1
InChIInChI=1S/C19H28N2O4S/c1-14-11-15(2)18(16(3)12-14)26(23,24)21-6-4-5-17(13-21)19(22)20-7-9-25-10-8-20/h11-12,17H,4-10,13H2,1-3H3
InChIKeyATSCFNFYBOASMB-UHFFFAOYSA-N
XLogP1.87
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone (CID 2986162) is morpholin-4-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone is Cc1cc(C)c(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)c(C)c1.
What is the InChIKey of morpholin-4-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone?
The InChIKey is ATSCFNFYBOASMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-14-11-15(2)18(16(3)12-14)26(23,24)21-6-4-5-17(13-21)19(22)20-7-9-25-10-8-20/h11-12,17H,4-10,13H2,1-3H3.
What are the key properties of morpholin-4-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone?
morpholin-4-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone has a molecular weight of 380.51 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 2986162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).