3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine;hydrochloride

C6H15ClN2O2S — CID 47002804

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCN1CCCS1(=O)=O
InChIInChI=1S/C6H14N2O2S.ClH/c7-3-1-4-8-5-2-6-11(8,9)10;/h1-7H2;1H
InChIKeyKOXVKXCZALXYFO-UHFFFAOYSA-N
MW214.72 g/mol
LogP-0.21
Rot. Bonds3

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine;hydrochloride

3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine;hydrochloride (PubChem CID 47002804) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine;hydrochloride
PubChem CID47002804
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCN1CCCS1(=O)=O
InChIInChI=1S/C6H14N2O2S.ClH/c7-3-1-4-8-5-2-6-11(8,9)10;/h1-7H2;1H
InChIKeyKOXVKXCZALXYFO-UHFFFAOYSA-N
XLogP-0.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine;hydrochloride (CID 47002804) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine;hydrochloride is Cl.NCCCN1CCCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine;hydrochloride?
The InChIKey is KOXVKXCZALXYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c7-3-1-4-8-5-2-6-11(8,9)10;/h1-7H2;1H.
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine;hydrochloride?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 47002804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).