3,4-di(piperidin-1-yl)thiolane 1,1-dioxide

C14H26N2O2S — CID 652705

IUPAC3,4-di(piperidin-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC(N2CCCCC2)C(N2CCCCC2)C1
InChIInChI=1S/C14H26N2O2S/c17-19(18)11-13(15-7-3-1-4-8-15)14(12-19)16-9-5-2-6-10-16/h13-14H,1-12H2
InChIKeyWAHBBOGSKMBXSI-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.12
Rot. Bonds2

About 3,4-di(piperidin-1-yl)thiolane 1,1-dioxide

3,4-di(piperidin-1-yl)thiolane 1,1-dioxide (PubChem CID 652705) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3,4-di(piperidin-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3,4-di(piperidin-1-yl)thiolane 1,1-dioxide
PubChem CID652705
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name3,4-di(piperidin-1-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC(N2CCCCC2)C(N2CCCCC2)C1
InChIInChI=1S/C14H26N2O2S/c17-19(18)11-13(15-7-3-1-4-8-15)14(12-19)16-9-5-2-6-10-16/h13-14H,1-12H2
InChIKeyWAHBBOGSKMBXSI-UHFFFAOYSA-N
XLogP1.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(piperidin-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3,4-di(piperidin-1-yl)thiolane 1,1-dioxide (CID 652705) is 3,4-di(piperidin-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3,4-di(piperidin-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3,4-di(piperidin-1-yl)thiolane 1,1-dioxide is O=S1(=O)CC(N2CCCCC2)C(N2CCCCC2)C1.
What is the InChIKey of 3,4-di(piperidin-1-yl)thiolane 1,1-dioxide?
The InChIKey is WAHBBOGSKMBXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c17-19(18)11-13(15-7-3-1-4-8-15)14(12-19)16-9-5-2-6-10-16/h13-14H,1-12H2.
What are the key properties of 3,4-di(piperidin-1-yl)thiolane 1,1-dioxide?
3,4-di(piperidin-1-yl)thiolane 1,1-dioxide has a molecular weight of 286.44 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(piperidin-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 652705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).