2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide

C18H32N2OS — CID 15314475

IUPAC2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide
SMILESO=S1C2CCC(N3CCCCC3)C1CCC2N1CCCCC1
InChIInChI=1S/C18H32N2OS/c21-22-17-10-8-16(20-13-5-2-6-14-20)18(22)9-7-15(17)19-11-3-1-4-12-19/h15-18H,1-14H2
InChIKeyBYOQLMUDEYZRDM-UHFFFAOYSA-N
MW324.53 g/mol
LogP2.77
Rot. Bonds2

About 2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide

2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide (PubChem CID 15314475) has the molecular formula C18H32N2OS and a molecular weight of 324.53 g/mol. Its IUPAC name is 2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide.

Molecular Properties

Compound Name2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide
PubChem CID15314475
Molecular FormulaC18H32N2OS
Molecular Weight324.53 g/mol
Exact Mass324.22
IUPAC Name2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide
SMILESO=S1C2CCC(N3CCCCC3)C1CCC2N1CCCCC1
InChIInChI=1S/C18H32N2OS/c21-22-17-10-8-16(20-13-5-2-6-14-20)18(22)9-7-15(17)19-11-3-1-4-12-19/h15-18H,1-14H2
InChIKeyBYOQLMUDEYZRDM-UHFFFAOYSA-N
XLogP2.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.53
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide?
The IUPAC name of 2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide (CID 15314475) is 2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide.
What is the SMILES notation for 2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide?
The canonical SMILES for 2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide is O=S1C2CCC(N3CCCCC3)C1CCC2N1CCCCC1.
What is the InChIKey of 2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide?
The InChIKey is BYOQLMUDEYZRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2OS/c21-22-17-10-8-16(20-13-5-2-6-14-20)18(22)9-7-15(17)19-11-3-1-4-12-19/h15-18H,1-14H2.
What are the key properties of 2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide?
2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide has a molecular weight of 324.53 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(piperidin-1-yl)-9lambda4-thiabicyclo[3.3.1]nonane 9-oxide is sourced from PubChem (CID 15314475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).