2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone

C17H22N2O4S — CID 126809281

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone
SMILESO=C(CN1CCCS1(=O)=O)N1CC2(CCOCC2)c2ccccc21
InChIInChI=1S/C17H22N2O4S/c20-16(12-18-8-3-11-24(18,21)22)19-13-17(6-9-23-10-7-17)14-4-1-2-5-15(14)19/h1-2,4-5H,3,6-13H2
InChIKeyDKCKZPIAPSOSHZ-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.12
Rot. Bonds2

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone (PubChem CID 126809281) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone
PubChem CID126809281
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone
SMILESO=C(CN1CCCS1(=O)=O)N1CC2(CCOCC2)c2ccccc21
InChIInChI=1S/C17H22N2O4S/c20-16(12-18-8-3-11-24(18,21)22)19-13-17(6-9-23-10-7-17)14-4-1-2-5-15(14)19/h1-2,4-5H,3,6-13H2
InChIKeyDKCKZPIAPSOSHZ-UHFFFAOYSA-N
XLogP1.12
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone (CID 126809281) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone is O=C(CN1CCCS1(=O)=O)N1CC2(CCOCC2)c2ccccc21.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone?
The InChIKey is DKCKZPIAPSOSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c20-16(12-18-8-3-11-24(18,21)22)19-13-17(6-9-23-10-7-17)14-4-1-2-5-15(14)19/h1-2,4-5H,3,6-13H2.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone has a molecular weight of 350.44 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone is sourced from PubChem (CID 126809281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).