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

C9H16N2O3S — CID 117029876

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 Name1,1-dioxo-2-(piperidin-4-ylmethyl)-1,2-thiazolidin-3-one
PubChem CID117029876
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name1,1-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
XLogP-0.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).