(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(1,1-dioxothiolan-3-yl)acetate

C18H23NO6S — CID 43033234

IUPAC(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(1,1-dioxothiolan-3-yl)acetate
SMILESO=C(CC1CCS(=O)(=O)C1)OC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H23NO6S/c20-16(12-14-6-11-26(22,23)13-14)25-17(15-4-2-1-3-5-15)18(21)19-7-9-24-10-8-19/h1-5,14,17H,6-13H2
InChIKeyJTRLKOOQLDCVHG-UHFFFAOYSA-N
MW381.45 g/mol
LogP0.95
Rot. Bonds5

About (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(1,1-dioxothiolan-3-yl)acetate

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(1,1-dioxothiolan-3-yl)acetate (PubChem CID 43033234) has the molecular formula C18H23NO6S and a molecular weight of 381.45 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(1,1-dioxothiolan-3-yl)acetate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(1,1-dioxothiolan-3-yl)acetate
PubChem CID43033234
Molecular FormulaC18H23NO6S
Molecular Weight381.45 g/mol
Exact Mass381.12
IUPAC Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(1,1-dioxothiolan-3-yl)acetate
SMILESO=C(CC1CCS(=O)(=O)C1)OC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H23NO6S/c20-16(12-14-6-11-26(22,23)13-14)25-17(15-4-2-1-3-5-15)18(21)19-7-9-24-10-8-19/h1-5,14,17H,6-13H2
InChIKeyJTRLKOOQLDCVHG-UHFFFAOYSA-N
XLogP0.95
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(1,1-dioxothiolan-3-yl)acetate?
The IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(1,1-dioxothiolan-3-yl)acetate (CID 43033234) is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(1,1-dioxothiolan-3-yl)acetate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(1,1-dioxothiolan-3-yl)acetate?
The canonical SMILES for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(1,1-dioxothiolan-3-yl)acetate is O=C(CC1CCS(=O)(=O)C1)OC(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(1,1-dioxothiolan-3-yl)acetate?
The InChIKey is JTRLKOOQLDCVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6S/c20-16(12-14-6-11-26(22,23)13-14)25-17(15-4-2-1-3-5-15)18(21)19-7-9-24-10-8-19/h1-5,14,17H,6-13H2.
What are the key properties of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(1,1-dioxothiolan-3-yl)acetate?
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(1,1-dioxothiolan-3-yl)acetate has a molecular weight of 381.45 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(1,1-dioxothiolan-3-yl)acetate is sourced from PubChem (CID 43033234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).