2-(5-piperidin-2-ylthian-2-yl)thiomorpholine

C14H26N2S2 — CID 129152410

IUPAC2-(5-piperidin-2-ylthian-2-yl)thiomorpholine
SMILESC1CCC(C2CCC(C3CNCCS3)SC2)NC1
InChIInChI=1S/C14H26N2S2/c1-2-6-16-12(3-1)11-4-5-13(18-10-11)14-9-15-7-8-17-14/h11-16H,1-10H2
InChIKeyRZYMHRQPEOWZLL-UHFFFAOYSA-N
MW286.51 g/mol
LogP2.35
Rot. Bonds2

About 2-(5-piperidin-2-ylthian-2-yl)thiomorpholine

2-(5-piperidin-2-ylthian-2-yl)thiomorpholine (PubChem CID 129152410) has the molecular formula C14H26N2S2 and a molecular weight of 286.51 g/mol. Its IUPAC name is 2-(5-piperidin-2-ylthian-2-yl)thiomorpholine.

Molecular Properties

Compound Name2-(5-piperidin-2-ylthian-2-yl)thiomorpholine
PubChem CID129152410
Molecular FormulaC14H26N2S2
Molecular Weight286.51 g/mol
Exact Mass286.15
IUPAC Name2-(5-piperidin-2-ylthian-2-yl)thiomorpholine
SMILESC1CCC(C2CCC(C3CNCCS3)SC2)NC1
InChIInChI=1S/C14H26N2S2/c1-2-6-16-12(3-1)11-4-5-13(18-10-11)14-9-15-7-8-17-14/h11-16H,1-10H2
InChIKeyRZYMHRQPEOWZLL-UHFFFAOYSA-N
XLogP2.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-2-ylthian-2-yl)thiomorpholine?
The IUPAC name of 2-(5-piperidin-2-ylthian-2-yl)thiomorpholine (CID 129152410) is 2-(5-piperidin-2-ylthian-2-yl)thiomorpholine.
What is the SMILES notation for 2-(5-piperidin-2-ylthian-2-yl)thiomorpholine?
The canonical SMILES for 2-(5-piperidin-2-ylthian-2-yl)thiomorpholine is C1CCC(C2CCC(C3CNCCS3)SC2)NC1.
What is the InChIKey of 2-(5-piperidin-2-ylthian-2-yl)thiomorpholine?
The InChIKey is RZYMHRQPEOWZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S2/c1-2-6-16-12(3-1)11-4-5-13(18-10-11)14-9-15-7-8-17-14/h11-16H,1-10H2.
What are the key properties of 2-(5-piperidin-2-ylthian-2-yl)thiomorpholine?
2-(5-piperidin-2-ylthian-2-yl)thiomorpholine has a molecular weight of 286.51 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-2-ylthian-2-yl)thiomorpholine is sourced from PubChem (CID 129152410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).