(2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine

C14H28N2S — CID 104967759

IUPAC(2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine
SMILESC[C@@H]1CCC[C@H](C)N1CCSC1CCNCC1
InChIInChI=1S/C14H28N2S/c1-12-4-3-5-13(2)16(12)10-11-17-14-6-8-15-9-7-14/h12-15H,3-11H2,1-2H3/t12-,13+
InChIKeyOJSZMQBLZUCIHD-BETUJISGSA-N
MW256.46 g/mol
LogP2.73
Rot. Bonds4

About (2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine

(2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine (PubChem CID 104967759) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine
PubChem CID104967759
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name(2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine
SMILESC[C@@H]1CCC[C@H](C)N1CCSC1CCNCC1
InChIInChI=1S/C14H28N2S/c1-12-4-3-5-13(2)16(12)10-11-17-14-6-8-15-9-7-14/h12-15H,3-11H2,1-2H3/t12-,13+
InChIKeyOJSZMQBLZUCIHD-BETUJISGSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine?
The IUPAC name of (2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine (CID 104967759) is (2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine is C[C@@H]1CCC[C@H](C)N1CCSC1CCNCC1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine?
The InChIKey is OJSZMQBLZUCIHD-BETUJISGSA-N. The full InChI is InChI=1S/C14H28N2S/c1-12-4-3-5-13(2)16(12)10-11-17-14-6-8-15-9-7-14/h12-15H,3-11H2,1-2H3/t12-,13+.
What are the key properties of (2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine?
(2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine has a molecular weight of 256.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine is sourced from PubChem (CID 104967759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).