4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid)

C15H24F6N4O7S — CID 19360767

IUPAC4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=S(=O)(N1CCOCC1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C11H22N4O3S.2C2HF3O2/c16-19(17,15-5-7-18-8-6-15)14-3-1-13(2-4-14)11-9-12-10-11;2*3-2(4,5)1(6)7/h11-12H,1-10H2;2*(H,6,7)
InChIKeyGGLMPBHDAURANG-UHFFFAOYSA-N
MW518.43 g/mol
LogP-0.58
Rot. Bonds3

About 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid)

4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 19360767) has the molecular formula C15H24F6N4O7S and a molecular weight of 518.43 g/mol. Its IUPAC name is 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid)
PubChem CID19360767
Molecular FormulaC15H24F6N4O7S
Molecular Weight518.43 g/mol
Exact Mass518.13
IUPAC Name4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=S(=O)(N1CCOCC1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C11H22N4O3S.2C2HF3O2/c16-19(17,15-5-7-18-8-6-15)14-3-1-13(2-4-14)11-9-12-10-11;2*3-2(4,5)1(6)7/h11-12H,1-10H2;2*(H,6,7)
InChIKeyGGLMPBHDAURANG-UHFFFAOYSA-N
XLogP-0.58
TPSA139.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.43
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid) (CID 19360767) is 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=S(=O)(N1CCOCC1)N1CCN(C2CNC2)CC1.
What is the InChIKey of 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is GGLMPBHDAURANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S.2C2HF3O2/c16-19(17,15-5-7-18-8-6-15)14-3-1-13(2-4-14)11-9-12-10-11;2*3-2(4,5)1(6)7/h11-12H,1-10H2;2*(H,6,7).
What are the key properties of 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid)?
4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 518.43 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylmorpholine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 19360767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).