3-(piperidin-1-ylmethyl)thiomorpholine

C10H20N2S — CID 18915121

IUPAC3-(piperidin-1-ylmethyl)thiomorpholine
SMILESC1CCN(CC2CSCCN2)CC1
InChIInChI=1S/C10H20N2S/c1-2-5-12(6-3-1)8-10-9-13-7-4-11-10/h10-11H,1-9H2
InChIKeyGYBHULCRBIVDAI-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.18
Rot. Bonds2

About 3-(piperidin-1-ylmethyl)thiomorpholine

3-(piperidin-1-ylmethyl)thiomorpholine (PubChem CID 18915121) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)thiomorpholine.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)thiomorpholine
PubChem CID18915121
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name3-(piperidin-1-ylmethyl)thiomorpholine
SMILESC1CCN(CC2CSCCN2)CC1
InChIInChI=1S/C10H20N2S/c1-2-5-12(6-3-1)8-10-9-13-7-4-11-10/h10-11H,1-9H2
InChIKeyGYBHULCRBIVDAI-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)thiomorpholine?
The IUPAC name of 3-(piperidin-1-ylmethyl)thiomorpholine (CID 18915121) is 3-(piperidin-1-ylmethyl)thiomorpholine.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)thiomorpholine?
The canonical SMILES for 3-(piperidin-1-ylmethyl)thiomorpholine is C1CCN(CC2CSCCN2)CC1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)thiomorpholine?
The InChIKey is GYBHULCRBIVDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-2-5-12(6-3-1)8-10-9-13-7-4-11-10/h10-11H,1-9H2.
What are the key properties of 3-(piperidin-1-ylmethyl)thiomorpholine?
3-(piperidin-1-ylmethyl)thiomorpholine has a molecular weight of 200.35 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)thiomorpholine is sourced from PubChem (CID 18915121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).