2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one

C16H19ClN2O5S — CID 110304632

IUPAC2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1(C)COCCN1C(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl
InChIInChI=1S/C16H19ClN2O5S/c1-16(2)10-24-7-6-18(16)15(21)12-9-11(3-4-13(12)17)19-14(20)5-8-25(19,22)23/h3-4,9H,5-8,10H2,1-2H3
InChIKeyUUKUEFYLSDUDMJ-UHFFFAOYSA-N
MW386.86 g/mol
LogP1.66
Rot. Bonds2

About 2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one

2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 110304632) has the molecular formula C16H19ClN2O5S and a molecular weight of 386.86 g/mol. Its IUPAC name is 2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID110304632
Molecular FormulaC16H19ClN2O5S
Molecular Weight386.86 g/mol
Exact Mass386.07
IUPAC Name2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1(C)COCCN1C(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl
InChIInChI=1S/C16H19ClN2O5S/c1-16(2)10-24-7-6-18(16)15(21)12-9-11(3-4-13(12)17)19-14(20)5-8-25(19,22)23/h3-4,9H,5-8,10H2,1-2H3
InChIKeyUUKUEFYLSDUDMJ-UHFFFAOYSA-N
XLogP1.66
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 110304632) is 2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is CC1(C)COCCN1C(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl.
What is the InChIKey of 2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is UUKUEFYLSDUDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O5S/c1-16(2)10-24-7-6-18(16)15(21)12-9-11(3-4-13(12)17)19-14(20)5-8-25(19,22)23/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 386.86 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 110304632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).