2-piperidin-2-ylthiomorpholine

C9H18N2S — CID 173064864

IUPAC2-piperidin-2-ylthiomorpholine
SMILESC1CCC(C2CNCCS2)NC1
InChIInChI=1S/C9H18N2S/c1-2-4-11-8(3-1)9-7-10-5-6-12-9/h8-11H,1-7H2
InChIKeyDDTCXSKWTWARSW-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.83
Rot. Bonds1

About 2-piperidin-2-ylthiomorpholine

2-piperidin-2-ylthiomorpholine (PubChem CID 173064864) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-piperidin-2-ylthiomorpholine.

Molecular Properties

Compound Name2-piperidin-2-ylthiomorpholine
PubChem CID173064864
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name2-piperidin-2-ylthiomorpholine
SMILESC1CCC(C2CNCCS2)NC1
InChIInChI=1S/C9H18N2S/c1-2-4-11-8(3-1)9-7-10-5-6-12-9/h8-11H,1-7H2
InChIKeyDDTCXSKWTWARSW-UHFFFAOYSA-N
XLogP0.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-pyrrolidin-3-ylpiperidine
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2-pyrrolidin-2-ylpiperidine
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CID 12014113
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2-pyrrolidin-2-ylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-ylthiomorpholine?
The IUPAC name of 2-piperidin-2-ylthiomorpholine (CID 173064864) is 2-piperidin-2-ylthiomorpholine.
What is the SMILES notation for 2-piperidin-2-ylthiomorpholine?
The canonical SMILES for 2-piperidin-2-ylthiomorpholine is C1CCC(C2CNCCS2)NC1.
What is the InChIKey of 2-piperidin-2-ylthiomorpholine?
The InChIKey is DDTCXSKWTWARSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-4-11-8(3-1)9-7-10-5-6-12-9/h8-11H,1-7H2.
What are the key properties of 2-piperidin-2-ylthiomorpholine?
2-piperidin-2-ylthiomorpholine has a molecular weight of 186.32 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-ylthiomorpholine is sourced from PubChem (CID 173064864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).