3-benzyl-5-phenyl-1,2-thiazolidine 1,1-dioxide

C16H17NO2S — CID 86013048

IUPAC3-benzyl-5-phenyl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)NC(Cc2ccccc2)CC1c1ccccc1
InChIInChI=1S/C16H17NO2S/c18-20(19)16(14-9-5-2-6-10-14)12-15(17-20)11-13-7-3-1-4-8-13/h1-10,15-17H,11-12H2
InChIKeyOWWYVUXFCPWNCR-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.66
Rot. Bonds3

About 3-benzyl-5-phenyl-1,2-thiazolidine 1,1-dioxide

3-benzyl-5-phenyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 86013048) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-benzyl-5-phenyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-benzyl-5-phenyl-1,2-thiazolidine 1,1-dioxide
PubChem CID86013048
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name3-benzyl-5-phenyl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)NC(Cc2ccccc2)CC1c1ccccc1
InChIInChI=1S/C16H17NO2S/c18-20(19)16(14-9-5-2-6-10-14)12-15(17-20)11-13-7-3-1-4-8-13/h1-10,15-17H,11-12H2
InChIKeyOWWYVUXFCPWNCR-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(5R)-5-benzylpyrrolidin-2-one
CID 740530
(4S)-4-benzyl-2-(fluoromethyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
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(5S)-5-benzylimidazolidin-4-one
CID 174267947
(2S)-2-benzylazetidine;molecular hydrogen
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CID 11830950

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-phenyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 3-benzyl-5-phenyl-1,2-thiazolidine 1,1-dioxide (CID 86013048) is 3-benzyl-5-phenyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 3-benzyl-5-phenyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 3-benzyl-5-phenyl-1,2-thiazolidine 1,1-dioxide is O=S1(=O)NC(Cc2ccccc2)CC1c1ccccc1.
What is the InChIKey of 3-benzyl-5-phenyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is OWWYVUXFCPWNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-20(19)16(14-9-5-2-6-10-14)12-15(17-20)11-13-7-3-1-4-8-13/h1-10,15-17H,11-12H2.
What are the key properties of 3-benzyl-5-phenyl-1,2-thiazolidine 1,1-dioxide?
3-benzyl-5-phenyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 287.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 86013048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).