3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione

C9H14N2O2S — CID 41111816

IUPAC3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione
SMILESN[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O
InChIInChI=1S/C9H14N2O2S/c10-6-3-1-2-4-7(6)11-8(12)5-14-9(11)13/h6-7H,1-5,10H2/t6-,7+/m1/s1
InChIKeyLWVRJTJZSHJMHX-RQJHMYQMSA-N
MW214.29 g/mol
LogP0.95
Rot. Bonds1

About 3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione

3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione (PubChem CID 41111816) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione
PubChem CID41111816
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione
SMILESN[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O
InChIInChI=1S/C9H14N2O2S/c10-6-3-1-2-4-7(6)11-8(12)5-14-9(11)13/h6-7H,1-5,10H2/t6-,7+/m1/s1
InChIKeyLWVRJTJZSHJMHX-RQJHMYQMSA-N
XLogP0.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.95
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 3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione (CID 41111816) is 3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione is N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O.
What is the InChIKey of 3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is LWVRJTJZSHJMHX-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H14N2O2S/c10-6-3-1-2-4-7(6)11-8(12)5-14-9(11)13/h6-7H,1-5,10H2/t6-,7+/m1/s1.
What are the key properties of 3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione?
3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 214.29 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R)-2-aminocyclohexyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 41111816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).