4,4-dimethyl-1,1-dioxo-2-[4-(2,5,5-trimethylmorpholine-4-carbonyl)phenyl]-1,2-thiazolidin-3-one

C19H26N2O5S — CID 110304735

IUPAC4,4-dimethyl-1,1-dioxo-2-[4-(2,5,5-trimethylmorpholine-4-carbonyl)phenyl]-1,2-thiazolidin-3-one
SMILESCC1CN(C(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)C(C)(C)CO1
InChIInChI=1S/C19H26N2O5S/c1-13-10-20(19(4,5)11-26-13)16(22)14-6-8-15(9-7-14)21-17(23)18(2,3)12-27(21,24)25/h6-9,13H,10-12H2,1-5H3
InChIKeyZZVBIOLMDSGGGI-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.03
Rot. Bonds2

About 4,4-dimethyl-1,1-dioxo-2-[4-(2,5,5-trimethylmorpholine-4-carbonyl)phenyl]-1,2-thiazolidin-3-one

4,4-dimethyl-1,1-dioxo-2-[4-(2,5,5-trimethylmorpholine-4-carbonyl)phenyl]-1,2-thiazolidin-3-one (PubChem CID 110304735) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 4,4-dimethyl-1,1-dioxo-2-[4-(2,5,5-trimethylmorpholine-4-carbonyl)phenyl]-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1,1-dioxo-2-[4-(2,5,5-trimethylmorpholine-4-carbonyl)phenyl]-1,2-thiazolidin-3-one
PubChem CID110304735
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name4,4-dimethyl-1,1-dioxo-2-[4-(2,5,5-trimethylmorpholine-4-carbonyl)phenyl]-1,2-thiazolidin-3-one
SMILESCC1CN(C(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)C(C)(C)CO1
InChIInChI=1S/C19H26N2O5S/c1-13-10-20(19(4,5)11-26-13)16(22)14-6-8-15(9-7-14)21-17(23)18(2,3)12-27(21,24)25/h6-9,13H,10-12H2,1-5H3
InChIKeyZZVBIOLMDSGGGI-UHFFFAOYSA-N
XLogP2.03
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,1-dioxo-2-[4-(2,5,5-trimethylmorpholine-4-carbonyl)phenyl]-1,2-thiazolidin-3-one?
The IUPAC name of 4,4-dimethyl-1,1-dioxo-2-[4-(2,5,5-trimethylmorpholine-4-carbonyl)phenyl]-1,2-thiazolidin-3-one (CID 110304735) is 4,4-dimethyl-1,1-dioxo-2-[4-(2,5,5-trimethylmorpholine-4-carbonyl)phenyl]-1,2-thiazolidin-3-one.
What is the SMILES notation for 4,4-dimethyl-1,1-dioxo-2-[4-(2,5,5-trimethylmorpholine-4-carbonyl)phenyl]-1,2-thiazolidin-3-one?
The canonical SMILES for 4,4-dimethyl-1,1-dioxo-2-[4-(2,5,5-trimethylmorpholine-4-carbonyl)phenyl]-1,2-thiazolidin-3-one is CC1CN(C(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)C(C)(C)CO1.
What is the InChIKey of 4,4-dimethyl-1,1-dioxo-2-[4-(2,5,5-trimethylmorpholine-4-carbonyl)phenyl]-1,2-thiazolidin-3-one?
The InChIKey is ZZVBIOLMDSGGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-13-10-20(19(4,5)11-26-13)16(22)14-6-8-15(9-7-14)21-17(23)18(2,3)12-27(21,24)25/h6-9,13H,10-12H2,1-5H3.
What are the key properties of 4,4-dimethyl-1,1-dioxo-2-[4-(2,5,5-trimethylmorpholine-4-carbonyl)phenyl]-1,2-thiazolidin-3-one?
4,4-dimethyl-1,1-dioxo-2-[4-(2,5,5-trimethylmorpholine-4-carbonyl)phenyl]-1,2-thiazolidin-3-one has a molecular weight of 394.49 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,1-dioxo-2-[4-(2,5,5-trimethylmorpholine-4-carbonyl)phenyl]-1,2-thiazolidin-3-one is sourced from PubChem (CID 110304735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).