4-piperidin-1-ylthiomorpholine

C9H18N2S — CID 54433680

IUPAC4-piperidin-1-ylthiomorpholine
SMILESC1CCN(N2CCSCC2)CC1
InChIInChI=1S/C9H18N2S/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H2
InChIKeyWJGKBUBXNRIPHO-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.44
Rot. Bonds1

About 4-piperidin-1-ylthiomorpholine

4-piperidin-1-ylthiomorpholine (PubChem CID 54433680) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 4-piperidin-1-ylthiomorpholine.

Molecular Properties

Compound Name4-piperidin-1-ylthiomorpholine
PubChem CID54433680
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name4-piperidin-1-ylthiomorpholine
SMILESC1CCN(N2CCSCC2)CC1
InChIInChI=1S/C9H18N2S/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H2
InChIKeyWJGKBUBXNRIPHO-UHFFFAOYSA-N
XLogP1.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylthiomorpholine?
The IUPAC name of 4-piperidin-1-ylthiomorpholine (CID 54433680) is 4-piperidin-1-ylthiomorpholine.
What is the SMILES notation for 4-piperidin-1-ylthiomorpholine?
The canonical SMILES for 4-piperidin-1-ylthiomorpholine is C1CCN(N2CCSCC2)CC1.
What is the InChIKey of 4-piperidin-1-ylthiomorpholine?
The InChIKey is WJGKBUBXNRIPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H2.
What are the key properties of 4-piperidin-1-ylthiomorpholine?
4-piperidin-1-ylthiomorpholine has a molecular weight of 186.32 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylthiomorpholine is sourced from PubChem (CID 54433680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).