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

C15H22N2O2S — CID 51360667

IUPAC2-(2-phenylethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCCC2)CN1CCc1ccccc1
InChIInChI=1S/C15H22N2O2S/c18-20(19)13-15(16-9-4-5-10-16)12-17(20)11-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKeyMDUUQXIIZRPWNA-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.34
Rot. Bonds4

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

2-(2-phenylethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 51360667) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(2-phenylethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-phenylethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID51360667
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(2-phenylethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCCC2)CN1CCc1ccccc1
InChIInChI=1S/C15H22N2O2S/c18-20(19)13-15(16-9-4-5-10-16)12-17(20)11-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKeyMDUUQXIIZRPWNA-UHFFFAOYSA-N
XLogP1.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.34
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-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-phenylethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide (CID 51360667) is 2-(2-phenylethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-phenylethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-phenylethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCCC2)CN1CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is MDUUQXIIZRPWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-20(19)13-15(16-9-4-5-10-16)12-17(20)11-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2.
What are the key properties of 2-(2-phenylethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide?
2-(2-phenylethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 294.42 g/mol, XLogP of 1.34, 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-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51360667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).