4-(3-piperazin-1-ylpropyl)thiomorpholine

C11H23N3S — CID 57031833

IUPAC4-(3-piperazin-1-ylpropyl)thiomorpholine
SMILESC(CN1CCNCC1)CN1CCSCC1
InChIInChI=1S/C11H23N3S/c1(4-13-6-2-12-3-7-13)5-14-8-10-15-11-9-14/h12H,1-11H2
InChIKeyJBUJVNMONJZACS-UHFFFAOYSA-N
MW229.39 g/mol
LogP0.33
Rot. Bonds4

About 4-(3-piperazin-1-ylpropyl)thiomorpholine

4-(3-piperazin-1-ylpropyl)thiomorpholine (PubChem CID 57031833) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 4-(3-piperazin-1-ylpropyl)thiomorpholine.

Molecular Properties

Compound Name4-(3-piperazin-1-ylpropyl)thiomorpholine
PubChem CID57031833
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name4-(3-piperazin-1-ylpropyl)thiomorpholine
SMILESC(CN1CCNCC1)CN1CCSCC1
InChIInChI=1S/C11H23N3S/c1(4-13-6-2-12-3-7-13)5-14-8-10-15-11-9-14/h12H,1-11H2
InChIKeyJBUJVNMONJZACS-UHFFFAOYSA-N
XLogP0.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tetrahydro-2H-thiopyran-4-yl)piperazine
CID 45791268
3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine
CID 106325171
4-(4-Piperazin-1-ylbut-2-ynyl)thiomorpholine
CID 17880852
4-Piperazin-2-ylthiomorpholine
CID 17943921
3-(Piperidinomethyl)thiomorpholine
CID 18915121
4-(Piperidin-4-yl)thiomorpholine
CID 28063369
(3R)-3-(piperidin-1-ylmethyl)thiomorpholine
CID 53863420
3-Piperazin-1-ylthiomorpholine
CID 53865717
4-Piperazin-1-ylthiomorpholine
CID 53903072
2-Thiomorpholin-4-ylthiomorpholine
CID 54175255
2-Piperazin-1-ylthiomorpholine
CID 54274130
N-methyl-3-thiomorpholin-4-ylpropan-1-amine
CID 58817683

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperazin-1-ylpropyl)thiomorpholine?
The IUPAC name of 4-(3-piperazin-1-ylpropyl)thiomorpholine (CID 57031833) is 4-(3-piperazin-1-ylpropyl)thiomorpholine.
What is the SMILES notation for 4-(3-piperazin-1-ylpropyl)thiomorpholine?
The canonical SMILES for 4-(3-piperazin-1-ylpropyl)thiomorpholine is C(CN1CCNCC1)CN1CCSCC1.
What is the InChIKey of 4-(3-piperazin-1-ylpropyl)thiomorpholine?
The InChIKey is JBUJVNMONJZACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1(4-13-6-2-12-3-7-13)5-14-8-10-15-11-9-14/h12H,1-11H2.
What are the key properties of 4-(3-piperazin-1-ylpropyl)thiomorpholine?
4-(3-piperazin-1-ylpropyl)thiomorpholine has a molecular weight of 229.39 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperazin-1-ylpropyl)thiomorpholine is sourced from PubChem (CID 57031833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).