2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol

C11H16N2O3S — CID 84805343

IUPAC2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol
SMILESCc1ccccc1N1CCN(CCO)S1(=O)=O
InChIInChI=1S/C11H16N2O3S/c1-10-4-2-3-5-11(10)13-7-6-12(8-9-14)17(13,15)16/h2-5,14H,6-9H2,1H3
InChIKeyHWINZWZLSANDHM-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.35
Rot. Bonds3

About 2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol

2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol (PubChem CID 84805343) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol
PubChem CID84805343
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol
SMILESCc1ccccc1N1CCN(CCO)S1(=O)=O
InChIInChI=1S/C11H16N2O3S/c1-10-4-2-3-5-11(10)13-7-6-12(8-9-14)17(13,15)16/h2-5,14H,6-9H2,1H3
InChIKeyHWINZWZLSANDHM-UHFFFAOYSA-N
XLogP0.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol?
The IUPAC name of 2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol (CID 84805343) is 2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol.
What is the SMILES notation for 2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol?
The canonical SMILES for 2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol is Cc1ccccc1N1CCN(CCO)S1(=O)=O.
What is the InChIKey of 2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol?
The InChIKey is HWINZWZLSANDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-10-4-2-3-5-11(10)13-7-6-12(8-9-14)17(13,15)16/h2-5,14H,6-9H2,1H3.
What are the key properties of 2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol?
2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol has a molecular weight of 256.33 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol is sourced from PubChem (CID 84805343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).