1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one

Name: 1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₆N₂O₃S — CID 117029876

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one

SMILESO=C1CCS(=O)(=O)N1CC1CCNCC1

InChIInChI=1S/C9H16N2O3S/c12-9-3-6-15(13,14)11(9)7-8-1-4-10-5-2-8/h8,10H,1-7H2

InChIKeyHRXRRJVDNFGHQB-UHFFFAOYSA-N

MW232.30 g/mol

LogP-0.45

Rot. Bonds2

About 1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one

1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one (PubChem CID 117029876) has the molecular formula C₉H₁₆N₂O₃S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name	1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one
PubChem CID	117029876
Molecular Formula	C₉H₁₆N₂O₃S
Molecular Weight	232.30 g/mol
Exact Mass	232.09
IUPAC Name	1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one
SMILES	O=C1CCS(=O)(=O)N1CC1CCNCC1
InChI	InChI=1S/C9H16N2O3S/c12-9-3-6-15(13,14)11(9)7-8-1-4-10-5-2-8/h8,10H,1-7H2
InChIKey	HRXRRJVDNFGHQB-UHFFFAOYSA-N
XLogP	-0.45
TPSA	66.48 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	232.30
LogP ≤ 5	-0.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one?

The IUPAC name of 1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one (CID 117029876) is 1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one.

What is the SMILES notation for 1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one?

The canonical SMILES for 1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one is O=C1CCS(=O)(=O)N1CC1CCNCC1.

What is the InChIKey of 1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one?

The InChIKey is HRXRRJVDNFGHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c12-9-3-6-15(13,14)11(9)7-8-1-4-10-5-2-8/h8,10H,1-7H2.

What are the key properties of 1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one?

1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one has a molecular weight of 232.30 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one is sourced from PubChem (CID 117029876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 117029876 — identifiers, structure, computed properties (public domain)

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