4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid

C10H19N3O4S — CID 69153447

IUPAC4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CCN2CCCS2(=O)=O)CC1
InChIInChI=1S/C10H19N3O4S/c14-10(15)12-6-3-11(4-7-12)5-8-13-2-1-9-18(13,16)17/h1-9H2,(H,14,15)
InChIKeyLHJJGMAGISRWJH-UHFFFAOYSA-N
MW277.35 g/mol
LogP-0.68
Rot. Bonds3

About 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid

4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid (PubChem CID 69153447) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid
PubChem CID69153447
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CCN2CCCS2(=O)=O)CC1
InChIInChI=1S/C10H19N3O4S/c14-10(15)12-6-3-11(4-7-12)5-8-13-2-1-9-18(13,16)17/h1-9H2,(H,14,15)
InChIKeyLHJJGMAGISRWJH-UHFFFAOYSA-N
XLogP-0.68
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid (CID 69153447) is 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(CCN2CCCS2(=O)=O)CC1.
What is the InChIKey of 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid?
The InChIKey is LHJJGMAGISRWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c14-10(15)12-6-3-11(4-7-12)5-8-13-2-1-9-18(13,16)17/h1-9H2,(H,14,15).
What are the key properties of 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid?
4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 69153447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).