2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine;hydrochloride

C5H13ClN2O2S — CID 47002542

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine;hydrochloride
SMILESCl.NCCN1CCCS1(=O)=O
InChIInChI=1S/C5H12N2O2S.ClH/c6-2-4-7-3-1-5-10(7,8)9;/h1-6H2;1H
InChIKeyVIKRWNYREMYEHF-UHFFFAOYSA-N
MW200.69 g/mol
LogP-0.60
Rot. Bonds2

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine;hydrochloride

2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine;hydrochloride (PubChem CID 47002542) has the molecular formula C5H13ClN2O2S and a molecular weight of 200.69 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine;hydrochloride
PubChem CID47002542
Molecular FormulaC5H13ClN2O2S
Molecular Weight200.69 g/mol
Exact Mass200.04
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine;hydrochloride
SMILESCl.NCCN1CCCS1(=O)=O
InChIInChI=1S/C5H12N2O2S.ClH/c6-2-4-7-3-1-5-10(7,8)9;/h1-6H2;1H
InChIKeyVIKRWNYREMYEHF-UHFFFAOYSA-N
XLogP-0.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 5-0.60
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-1,2-thiazolidin-2-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine;hydrochloride (CID 47002542) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine;hydrochloride is Cl.NCCN1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine;hydrochloride?
The InChIKey is VIKRWNYREMYEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S.ClH/c6-2-4-7-3-1-5-10(7,8)9;/h1-6H2;1H.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine;hydrochloride?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine;hydrochloride has a molecular weight of 200.69 g/mol, XLogP of -0.60, 2 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)ethanamine;hydrochloride is sourced from PubChem (CID 47002542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).