3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole

C15H26N6O3S — CID 60500807

IUPAC3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCN1CCN(S(=O)(=O)N2CCN(Cc3nc(C4CC4)no3)CC2)CC1
InChIInChI=1S/C15H26N6O3S/c1-18-4-8-20(9-5-18)25(22,23)21-10-6-19(7-11-21)12-14-16-15(17-24-14)13-2-3-13/h13H,2-12H2,1H3
InChIKeyARNJRENOFYYVJT-UHFFFAOYSA-N
MW370.48 g/mol
LogP-0.44
Rot. Bonds5

About 3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 60500807) has the molecular formula C15H26N6O3S and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID60500807
Molecular FormulaC15H26N6O3S
Molecular Weight370.48 g/mol
Exact Mass370.18
IUPAC Name3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCN1CCN(S(=O)(=O)N2CCN(Cc3nc(C4CC4)no3)CC2)CC1
InChIInChI=1S/C15H26N6O3S/c1-18-4-8-20(9-5-18)25(22,23)21-10-6-19(7-11-21)12-14-16-15(17-24-14)13-2-3-13/h13H,2-12H2,1H3
InChIKeyARNJRENOFYYVJT-UHFFFAOYSA-N
XLogP-0.44
TPSA86.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 60500807) is 3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is CN1CCN(S(=O)(=O)N2CCN(Cc3nc(C4CC4)no3)CC2)CC1.
What is the InChIKey of 3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ARNJRENOFYYVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O3S/c1-18-4-8-20(9-5-18)25(22,23)21-10-6-19(7-11-21)12-14-16-15(17-24-14)13-2-3-13/h13H,2-12H2,1H3.
What are the key properties of 3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 370.48 g/mol, XLogP of -0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 60500807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).