(5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione

C12H20N2O2S — CID 99128929

IUPAC(5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione
SMILESNCCN1C(=O)S[C@H](CC2CCCCC2)C1=O
InChIInChI=1S/C12H20N2O2S/c13-6-7-14-11(15)10(17-12(14)16)8-9-4-2-1-3-5-9/h9-10H,1-8,13H2/t10-/m1/s1
InChIKeyLEKLOEUEJXLUNK-SNVBAGLBSA-N
MW256.37 g/mol
LogP1.98
Rot. Bonds4

About (5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione

(5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 99128929) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is (5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione
PubChem CID99128929
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name(5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione
SMILESNCCN1C(=O)S[C@H](CC2CCCCC2)C1=O
InChIInChI=1S/C12H20N2O2S/c13-6-7-14-11(15)10(17-12(14)16)8-9-4-2-1-3-5-9/h9-10H,1-8,13H2/t10-/m1/s1
InChIKeyLEKLOEUEJXLUNK-SNVBAGLBSA-N
XLogP1.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione (CID 99128929) is (5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione is NCCN1C(=O)S[C@H](CC2CCCCC2)C1=O.
What is the InChIKey of (5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is LEKLOEUEJXLUNK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O2S/c13-6-7-14-11(15)10(17-12(14)16)8-9-4-2-1-3-5-9/h9-10H,1-8,13H2/t10-/m1/s1.
What are the key properties of (5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione?
(5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 256.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 99128929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).