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

C6H15ClN2O2S — CID 170914813

IUPAC(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-amine;hydrochloride
SMILESC[C@H](N)CN1CCCS1(=O)=O.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-6(7)5-8-3-2-4-11(8,9)10;/h6H,2-5,7H2,1H3;1H/t6-;/m0./s1
InChIKeyBZFGIEGLGSIYGC-RGMNGODLSA-N
MW214.72 g/mol
LogP-0.21
Rot. Bonds2

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

(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-amine;hydrochloride (PubChem CID 170914813) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-amine;hydrochloride
PubChem CID170914813
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC Name(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-amine;hydrochloride
SMILESC[C@H](N)CN1CCCS1(=O)=O.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-6(7)5-8-3-2-4-11(8,9)10;/h6H,2-5,7H2,1H3;1H/t6-;/m0./s1
InChIKeyBZFGIEGLGSIYGC-RGMNGODLSA-N
XLogP-0.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-amine;hydrochloride?
The IUPAC name of (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-amine;hydrochloride (CID 170914813) is (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-amine;hydrochloride?
The canonical SMILES for (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-amine;hydrochloride is C[C@H](N)CN1CCCS1(=O)=O.Cl.
What is the InChIKey of (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-amine;hydrochloride?
The InChIKey is BZFGIEGLGSIYGC-RGMNGODLSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c1-6(7)5-8-3-2-4-11(8,9)10;/h6H,2-5,7H2,1H3;1H/t6-;/m0./s1.
What are the key properties of (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-amine;hydrochloride?
(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-amine;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 170914813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).