2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine

C19H33NOS2 — CID 141045090

IUPAC2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine
SMILESC1CCC(C2(C3CCCS3)CCCCN2C2CCCCS2)OC1
InChIInChI=1S/C19H33NOS2/c1-5-13-21-16(8-1)19(17-9-7-15-22-17)11-3-4-12-20(19)18-10-2-6-14-23-18/h16-18H,1-15H2
InChIKeyROXNEOLHGCJFDQ-UHFFFAOYSA-N
MW355.61 g/mol
LogP4.92
Rot. Bonds3

About 2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine

2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine (PubChem CID 141045090) has the molecular formula C19H33NOS2 and a molecular weight of 355.61 g/mol. Its IUPAC name is 2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine.

Molecular Properties

Compound Name2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine
PubChem CID141045090
Molecular FormulaC19H33NOS2
Molecular Weight355.61 g/mol
Exact Mass355.20
IUPAC Name2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine
SMILESC1CCC(C2(C3CCCS3)CCCCN2C2CCCCS2)OC1
InChIInChI=1S/C19H33NOS2/c1-5-13-21-16(8-1)19(17-9-7-15-22-17)11-3-4-12-20(19)18-10-2-6-14-23-18/h16-18H,1-15H2
InChIKeyROXNEOLHGCJFDQ-UHFFFAOYSA-N
XLogP4.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.61
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine?
The IUPAC name of 2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine (CID 141045090) is 2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine.
What is the SMILES notation for 2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine?
The canonical SMILES for 2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine is C1CCC(C2(C3CCCS3)CCCCN2C2CCCCS2)OC1.
What is the InChIKey of 2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine?
The InChIKey is ROXNEOLHGCJFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NOS2/c1-5-13-21-16(8-1)19(17-9-7-15-22-17)11-3-4-12-20(19)18-10-2-6-14-23-18/h16-18H,1-15H2.
What are the key properties of 2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine?
2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine has a molecular weight of 355.61 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-1-(thian-2-yl)-2-(thiolan-2-yl)piperidine is sourced from PubChem (CID 141045090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).