2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide

C22H31N3O4S — CID 126953287

IUPAC2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CCN1CCC(Oc2cccc3c2ccn3C2CCOC2)CC1
InChIInChI=1S/C22H31N3O4S/c26-30(27)16-2-9-24(30)14-13-23-10-5-19(6-11-23)29-22-4-1-3-21-20(22)7-12-25(21)18-8-15-28-17-18/h1,3-4,7,12,18-19H,2,5-6,8-11,13-17H2
InChIKeyJPEFSNPPTXJIRR-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.48
Rot. Bonds6

About 2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide

2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 126953287) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID126953287
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CCN1CCC(Oc2cccc3c2ccn3C2CCOC2)CC1
InChIInChI=1S/C22H31N3O4S/c26-30(27)16-2-9-24(30)14-13-23-10-5-19(6-11-23)29-22-4-1-3-21-20(22)7-12-25(21)18-8-15-28-17-18/h1,3-4,7,12,18-19H,2,5-6,8-11,13-17H2
InChIKeyJPEFSNPPTXJIRR-UHFFFAOYSA-N
XLogP2.48
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide with MolForge

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Related Compounds

1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one
CID 126953288
5-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126953260
4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole
CID 126953281
2-methyl-4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 126953191
4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953177
4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953211
(2,5-dimethylpyrazol-3-yl)-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methanone
CID 126953150
N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 126953222
2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 126953172
4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953313
1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole
CID 126952123
5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole
CID 126953064

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide (CID 126953287) is 2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1CCN1CCC(Oc2cccc3c2ccn3C2CCOC2)CC1.
What is the InChIKey of 2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is JPEFSNPPTXJIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c26-30(27)16-2-9-24(30)14-13-23-10-5-19(6-11-23)29-22-4-1-3-21-20(22)7-12-25(21)18-8-15-28-17-18/h1,3-4,7,12,18-19H,2,5-6,8-11,13-17H2.
What are the key properties of 2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide?
2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 433.57 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 126953287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).