3-[5-(thian-3-yl)oxan-3-yl]piperidine

C15H27NOS — CID 130360612

IUPAC3-[5-(thian-3-yl)oxan-3-yl]piperidine
SMILESC1CNCC(C2COCC(C3CCCSC3)C2)C1
InChIInChI=1S/C15H27NOS/c1-3-12(8-16-5-1)14-7-15(10-17-9-14)13-4-2-6-18-11-13/h12-16H,1-11H2
InChIKeyCOJKDPMZLBZSRM-UHFFFAOYSA-N
MW269.45 g/mol
LogP2.78
Rot. Bonds2

About 3-[5-(thian-3-yl)oxan-3-yl]piperidine

3-[5-(thian-3-yl)oxan-3-yl]piperidine (PubChem CID 130360612) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 3-[5-(thian-3-yl)oxan-3-yl]piperidine.

Molecular Properties

Compound Name3-[5-(thian-3-yl)oxan-3-yl]piperidine
PubChem CID130360612
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name3-[5-(thian-3-yl)oxan-3-yl]piperidine
SMILESC1CNCC(C2COCC(C3CCCSC3)C2)C1
InChIInChI=1S/C15H27NOS/c1-3-12(8-16-5-1)14-7-15(10-17-9-14)13-4-2-6-18-11-13/h12-16H,1-11H2
InChIKeyCOJKDPMZLBZSRM-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(thian-3-yl)oxan-3-yl]piperidine?
The IUPAC name of 3-[5-(thian-3-yl)oxan-3-yl]piperidine (CID 130360612) is 3-[5-(thian-3-yl)oxan-3-yl]piperidine.
What is the SMILES notation for 3-[5-(thian-3-yl)oxan-3-yl]piperidine?
The canonical SMILES for 3-[5-(thian-3-yl)oxan-3-yl]piperidine is C1CNCC(C2COCC(C3CCCSC3)C2)C1.
What is the InChIKey of 3-[5-(thian-3-yl)oxan-3-yl]piperidine?
The InChIKey is COJKDPMZLBZSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-3-12(8-16-5-1)14-7-15(10-17-9-14)13-4-2-6-18-11-13/h12-16H,1-11H2.
What are the key properties of 3-[5-(thian-3-yl)oxan-3-yl]piperidine?
3-[5-(thian-3-yl)oxan-3-yl]piperidine has a molecular weight of 269.45 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(thian-3-yl)oxan-3-yl]piperidine is sourced from PubChem (CID 130360612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).