2-(2-phenylethyl)-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide

C16H24N2O2S — CID 51360664

IUPAC2-(2-phenylethyl)-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCCCC2)CN1CCc1ccccc1
InChIInChI=1S/C16H24N2O2S/c19-21(20)14-16(17-10-5-2-6-11-17)13-18(21)12-9-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2
InChIKeyDIPAICNDAXDRKP-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.73
Rot. Bonds4

About 2-(2-phenylethyl)-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide

2-(2-phenylethyl)-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 51360664) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(2-phenylethyl)-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-phenylethyl)-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID51360664
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(2-phenylethyl)-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCCCC2)CN1CCc1ccccc1
InChIInChI=1S/C16H24N2O2S/c19-21(20)14-16(17-10-5-2-6-11-17)13-18(21)12-9-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2
InChIKeyDIPAICNDAXDRKP-UHFFFAOYSA-N
XLogP1.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-phenylethyl)-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide (CID 51360664) is 2-(2-phenylethyl)-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-phenylethyl)-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-phenylethyl)-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCCCC2)CN1CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is DIPAICNDAXDRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-21(20)14-16(17-10-5-2-6-11-17)13-18(21)12-9-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2.
What are the key properties of 2-(2-phenylethyl)-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide?
2-(2-phenylethyl)-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 308.45 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51360664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).