4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine

C11H22N4O3S — CID 19360768

IUPAC4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C11H22N4O3S/c16-19(17,15-5-7-18-8-6-15)14-3-1-13(2-4-14)11-9-12-10-11/h11-12H,1-10H2
InChIKeyLAABZPAGLSZBFU-UHFFFAOYSA-N
MW290.39 g/mol
LogP-1.85
Rot. Bonds3

About 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine

4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine (PubChem CID 19360768) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine
PubChem CID19360768
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC Name4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C11H22N4O3S/c16-19(17,15-5-7-18-8-6-15)14-3-1-13(2-4-14)11-9-12-10-11/h11-12H,1-10H2
InChIKeyLAABZPAGLSZBFU-UHFFFAOYSA-N
XLogP-1.85
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine (CID 19360768) is 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCN(C2CNC2)CC1.
What is the InChIKey of 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine?
The InChIKey is LAABZPAGLSZBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c16-19(17,15-5-7-18-8-6-15)14-3-1-13(2-4-14)11-9-12-10-11/h11-12H,1-10H2.
What are the key properties of 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine?
4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine has a molecular weight of 290.39 g/mol, XLogP of -1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 19360768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).