3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione;hydrochloride

C9H15ClN2O2S — CID 71779138

IUPAC3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCl.NC1CCCCC1N1C(=O)CSC1=O
InChIInChI=1S/C9H14N2O2S.ClH/c10-6-3-1-2-4-7(6)11-8(12)5-14-9(11)13;/h6-7H,1-5,10H2;1H
InChIKeyCBVCWRUAKYIXBJ-UHFFFAOYSA-N
MW250.75 g/mol
LogP1.37
Rot. Bonds1

About 3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione;hydrochloride

3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione;hydrochloride (PubChem CID 71779138) has the molecular formula C9H15ClN2O2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione;hydrochloride
PubChem CID71779138
Molecular FormulaC9H15ClN2O2S
Molecular Weight250.75 g/mol
Exact Mass250.05
IUPAC Name3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCl.NC1CCCCC1N1C(=O)CSC1=O
InChIInChI=1S/C9H14N2O2S.ClH/c10-6-3-1-2-4-7(6)11-8(12)5-14-9(11)13;/h6-7H,1-5,10H2;1H
InChIKeyCBVCWRUAKYIXBJ-UHFFFAOYSA-N
XLogP1.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-Cyclohexyl-2-(2,4-dioxo-thiazolidin-3-yl)-acetamide
CID 653300
3-(2-Aminocyclohexyl)-1,3-thiazolidine-2,4-dione
CID 17591359
2-(cyclopentylthio)-N-(2-(2,4-dioxothiazolidin-3-yl)cyclohexyl)acetamide
CID 45505266
3-(Piperidin-3-yl)-1,3-thiazolidine-2,4-dione
CID 86262677
3-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 99737465
3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 99737466
3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione
CID 41111816
3-[(1R,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione
CID 41111819
3-[(1S,2S)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione
CID 41111821
3-[(1R,2S)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione
CID 41111823
N-cyclohexyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 45836471
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]butanamide
CID 49718925

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione;hydrochloride (CID 71779138) is 3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione;hydrochloride is Cl.NC1CCCCC1N1C(=O)CSC1=O.
What is the InChIKey of 3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione;hydrochloride?
The InChIKey is CBVCWRUAKYIXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S.ClH/c10-6-3-1-2-4-7(6)11-8(12)5-14-9(11)13;/h6-7H,1-5,10H2;1H.
What are the key properties of 3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione;hydrochloride?
3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione;hydrochloride has a molecular weight of 250.75 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 71779138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).