1-morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone

C15H26N2O4S — CID 48688630

IUPAC1-morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone
SMILESCC1CN(C(=O)CSCC(=O)N2CCOCC2)CC(C)(C)O1
InChIInChI=1S/C15H26N2O4S/c1-12-8-17(11-15(2,3)21-12)14(19)10-22-9-13(18)16-4-6-20-7-5-16/h12H,4-11H2,1-3H3
InChIKeyWJBOHVNIPAINSL-UHFFFAOYSA-N
MW330.45 g/mol
LogP0.60
Rot. Bonds4

About 1-morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone

1-morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone (PubChem CID 48688630) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone
PubChem CID48688630
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Name1-morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone
SMILESCC1CN(C(=O)CSCC(=O)N2CCOCC2)CC(C)(C)O1
InChIInChI=1S/C15H26N2O4S/c1-12-8-17(11-15(2,3)21-12)14(19)10-22-9-13(18)16-4-6-20-7-5-16/h12H,4-11H2,1-3H3
InChIKeyWJBOHVNIPAINSL-UHFFFAOYSA-N
XLogP0.60
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone (CID 48688630) is 1-morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone is CC1CN(C(=O)CSCC(=O)N2CCOCC2)CC(C)(C)O1.
What is the InChIKey of 1-morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone?
The InChIKey is WJBOHVNIPAINSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-12-8-17(11-15(2,3)21-12)14(19)10-22-9-13(18)16-4-6-20-7-5-16/h12H,4-11H2,1-3H3.
What are the key properties of 1-morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone?
1-morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone has a molecular weight of 330.45 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone is sourced from PubChem (CID 48688630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).