2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol

C7H16N2O3S — CID 84780293

IUPAC2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol
SMILESCCCN1CCN(CCO)S1(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-2-3-8-4-5-9(6-7-10)13(8,11)12/h10H,2-7H2,1H3
InChIKeyOEZRGMDLKWSBRP-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.75
Rot. Bonds4

About 2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol

2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol (PubChem CID 84780293) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol.

Molecular Properties

Compound Name2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol
PubChem CID84780293
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol
SMILESCCCN1CCN(CCO)S1(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-2-3-8-4-5-9(6-7-10)13(8,11)12/h10H,2-7H2,1H3
InChIKeyOEZRGMDLKWSBRP-UHFFFAOYSA-N
XLogP-0.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol?
The IUPAC name of 2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol (CID 84780293) is 2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol.
What is the SMILES notation for 2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol?
The canonical SMILES for 2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol is CCCN1CCN(CCO)S1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol?
The InChIKey is OEZRGMDLKWSBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-2-3-8-4-5-9(6-7-10)13(8,11)12/h10H,2-7H2,1H3.
What are the key properties of 2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol?
2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol has a molecular weight of 208.28 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethanol is sourced from PubChem (CID 84780293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).