2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol

C11H15NO3S — CID 104549561

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol
SMILESO=S1(=O)CCCN1C(CO)c1ccccc1
InChIInChI=1S/C11H15NO3S/c13-9-11(10-5-2-1-3-6-10)12-7-4-8-16(12,14)15/h1-3,5-6,11,13H,4,7-9H2
InChIKeyKEFQGZAJFPJWHA-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.76
Rot. Bonds3

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol (PubChem CID 104549561) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol
PubChem CID104549561
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol
SMILESO=S1(=O)CCCN1C(CO)c1ccccc1
InChIInChI=1S/C11H15NO3S/c13-9-11(10-5-2-1-3-6-10)12-7-4-8-16(12,14)15/h1-3,5-6,11,13H,4,7-9H2
InChIKeyKEFQGZAJFPJWHA-UHFFFAOYSA-N
XLogP0.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid
CID 10265079
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-phenylbutanoic acid
CID 60829321
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid
CID 24688909
(2S)-2-(1,1-dioxothiazinan-2-yl)-3-phenylpropan-1-ol
CID 114010346
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid
CID 24689195
1-[(1R)-2-hydroxy-1-phenylethyl]piperidine-2,6-dione
CID 107863789
1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione
CID 71354940
8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 107863747
1-(2-hydroxy-1-phenylethyl)imidazolidin-2-one
CID 112756247
1-[(1R)-2-hydroxy-1-phenylethyl]imidazolidin-2-one
CID 107863748
2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860322
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol (CID 104549561) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol is O=S1(=O)CCCN1C(CO)c1ccccc1.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol?
The InChIKey is KEFQGZAJFPJWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-9-11(10-5-2-1-3-6-10)12-7-4-8-16(12,14)15/h1-3,5-6,11,13H,4,7-9H2.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol has a molecular weight of 241.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylethanol is sourced from PubChem (CID 104549561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).