cyclohexanamine;1,3-thiazolidine-2,4-dione

C9H16N2O2S — CID 3057282

IUPACcyclohexanamine;1,3-thiazolidine-2,4-dione
SMILESNC1CCCCC1.O=C1CSC(=O)N1
InChIInChI=1S/C6H13N.C3H3NO2S/c7-6-4-2-1-3-5-6;5-2-1-7-3(6)4-2/h6H,1-5,7H2;1H2,(H,4,5,6)
InChIKeyLGPHXWSXOZSHAP-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.25
Rot. Bonds

About cyclohexanamine;1,3-thiazolidine-2,4-dione

cyclohexanamine;1,3-thiazolidine-2,4-dione (PubChem CID 3057282) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is cyclohexanamine;1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Namecyclohexanamine;1,3-thiazolidine-2,4-dione
PubChem CID3057282
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Namecyclohexanamine;1,3-thiazolidine-2,4-dione
SMILESNC1CCCCC1.O=C1CSC(=O)N1
InChIInChI=1S/C6H13N.C3H3NO2S/c7-6-4-2-1-3-5-6;5-2-1-7-3(6)4-2/h6H,1-5,7H2;1H2,(H,4,5,6)
InChIKeyLGPHXWSXOZSHAP-UHFFFAOYSA-N
XLogP1.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
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
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]acetamide
CID 49719987
3-(4-Aminocyclohexyl)-1,3-thiazolidine-2,4-dione
CID 86262688

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;1,3-thiazolidine-2,4-dione?
The IUPAC name of cyclohexanamine;1,3-thiazolidine-2,4-dione (CID 3057282) is cyclohexanamine;1,3-thiazolidine-2,4-dione.
What is the SMILES notation for cyclohexanamine;1,3-thiazolidine-2,4-dione?
The canonical SMILES for cyclohexanamine;1,3-thiazolidine-2,4-dione is NC1CCCCC1.O=C1CSC(=O)N1.
What is the InChIKey of cyclohexanamine;1,3-thiazolidine-2,4-dione?
The InChIKey is LGPHXWSXOZSHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C3H3NO2S/c7-6-4-2-1-3-5-6;5-2-1-7-3(6)4-2/h6H,1-5,7H2;1H2,(H,4,5,6).
What are the key properties of cyclohexanamine;1,3-thiazolidine-2,4-dione?
cyclohexanamine;1,3-thiazolidine-2,4-dione has a molecular weight of 216.31 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3057282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).