4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine

C12H25N3O3S — CID 64980380

IUPAC4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)N2CC(C)OC(C)C2)C(C)CN1
InChIInChI=1S/C12H25N3O3S/c1-9-6-15(10(2)5-13-9)19(16,17)14-7-11(3)18-12(4)8-14/h9-13H,5-8H2,1-4H3
InChIKeyMLXAXTSVZRVSJZ-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.02
Rot. Bonds2

About 4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine

4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 64980380) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine
PubChem CID64980380
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)N2CC(C)OC(C)C2)C(C)CN1
InChIInChI=1S/C12H25N3O3S/c1-9-6-15(10(2)5-13-9)19(16,17)14-7-11(3)18-12(4)8-14/h9-13H,5-8H2,1-4H3
InChIKeyMLXAXTSVZRVSJZ-UHFFFAOYSA-N
XLogP0.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine (CID 64980380) is 4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)N2CC(C)OC(C)C2)C(C)CN1.
What is the InChIKey of 4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is MLXAXTSVZRVSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-9-6-15(10(2)5-13-9)19(16,17)14-7-11(3)18-12(4)8-14/h9-13H,5-8H2,1-4H3.
What are the key properties of 4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine?
4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 291.42 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpiperazin-1-yl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 64980380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).