3-piperazin-2-yl-5-thiomorpholin-3-ylmorpholine

C12H24N4OS — CID 137426523

IUPAC3-piperazin-2-yl-5-thiomorpholin-3-ylmorpholine
SMILESC1CNC(C2COCC(C3CSCCN3)N2)CN1
InChIInChI=1S/C12H24N4OS/c1-2-14-9(5-13-1)10-6-17-7-11(16-10)12-8-18-4-3-15-12/h9-16H,1-8H2
InChIKeyIHKZBHKESFWLGC-UHFFFAOYSA-N
MW272.42 g/mol
LogP-1.39
Rot. Bonds2

About 3-piperazin-2-yl-5-thiomorpholin-3-ylmorpholine

3-piperazin-2-yl-5-thiomorpholin-3-ylmorpholine (PubChem CID 137426523) has the molecular formula C12H24N4OS and a molecular weight of 272.42 g/mol. Its IUPAC name is 3-piperazin-2-yl-5-thiomorpholin-3-ylmorpholine.

Molecular Properties

Compound Name3-piperazin-2-yl-5-thiomorpholin-3-ylmorpholine
PubChem CID137426523
Molecular FormulaC12H24N4OS
Molecular Weight272.42 g/mol
Exact Mass272.17
IUPAC Name3-piperazin-2-yl-5-thiomorpholin-3-ylmorpholine
SMILESC1CNC(C2COCC(C3CSCCN3)N2)CN1
InChIInChI=1S/C12H24N4OS/c1-2-14-9(5-13-1)10-6-17-7-11(16-10)12-8-18-4-3-15-12/h9-16H,1-8H2
InChIKeyIHKZBHKESFWLGC-UHFFFAOYSA-N
XLogP-1.39
TPSA57.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-2-yl-5-thiomorpholin-3-ylmorpholine?
The IUPAC name of 3-piperazin-2-yl-5-thiomorpholin-3-ylmorpholine (CID 137426523) is 3-piperazin-2-yl-5-thiomorpholin-3-ylmorpholine.
What is the SMILES notation for 3-piperazin-2-yl-5-thiomorpholin-3-ylmorpholine?
The canonical SMILES for 3-piperazin-2-yl-5-thiomorpholin-3-ylmorpholine is C1CNC(C2COCC(C3CSCCN3)N2)CN1.
What is the InChIKey of 3-piperazin-2-yl-5-thiomorpholin-3-ylmorpholine?
The InChIKey is IHKZBHKESFWLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4OS/c1-2-14-9(5-13-1)10-6-17-7-11(16-10)12-8-18-4-3-15-12/h9-16H,1-8H2.
What are the key properties of 3-piperazin-2-yl-5-thiomorpholin-3-ylmorpholine?
3-piperazin-2-yl-5-thiomorpholin-3-ylmorpholine has a molecular weight of 272.42 g/mol, XLogP of -1.39, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-2-yl-5-thiomorpholin-3-ylmorpholine is sourced from PubChem (CID 137426523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).