3-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-2,4-dione

C10H16N2O2S — CID 154073992

IUPAC3-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCN1CCC(CN2C(=O)CSC2=O)CC1
InChIInChI=1S/C10H16N2O2S/c1-11-4-2-8(3-5-11)6-12-9(13)7-15-10(12)14/h8H,2-7H2,1H3
InChIKeyLBACECNBOXIVDT-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.02
Rot. Bonds2

About 3-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-2,4-dione

3-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 154073992) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID154073992
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCN1CCC(CN2C(=O)CSC2=O)CC1
InChIInChI=1S/C10H16N2O2S/c1-11-4-2-8(3-5-11)6-12-9(13)7-15-10(12)14/h8H,2-7H2,1H3
InChIKeyLBACECNBOXIVDT-UHFFFAOYSA-N
XLogP1.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.02
H-Bond Donors ≤ 50
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-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-2,4-dione (CID 154073992) is 3-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-2,4-dione is CN1CCC(CN2C(=O)CSC2=O)CC1.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is LBACECNBOXIVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-11-4-2-8(3-5-11)6-12-9(13)7-15-10(12)14/h8H,2-7H2,1H3.
What are the key properties of 3-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-2,4-dione?
3-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 228.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 154073992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).