2-(piperidin-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide

C9H18N2O2S — CID 24692656

IUPAC2-(piperidin-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CC1CCCCN1
InChIInChI=1S/C9H18N2O2S/c12-14(13)7-3-6-11(14)8-9-4-1-2-5-10-9/h9-10H,1-8H2
InChIKeyONMIYOVEOUEIJH-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.16
Rot. Bonds2

About 2-(piperidin-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide

2-(piperidin-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 24692656) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(piperidin-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID24692656
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-(piperidin-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CC1CCCCN1
InChIInChI=1S/C9H18N2O2S/c12-14(13)7-3-6-11(14)8-9-4-1-2-5-10-9/h9-10H,1-8H2
InChIKeyONMIYOVEOUEIJH-UHFFFAOYSA-N
XLogP0.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(piperidin-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide (CID 24692656) is 2-(piperidin-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(piperidin-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(piperidin-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1CC1CCCCN1.
What is the InChIKey of 2-(piperidin-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is ONMIYOVEOUEIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c12-14(13)7-3-6-11(14)8-9-4-1-2-5-10-9/h9-10H,1-8H2.
What are the key properties of 2-(piperidin-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide?
2-(piperidin-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 24692656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).