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

C14H26N6O3S — CID 72870938

IUPAC2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)o1
InChIInChI=1S/C14H26N6O3S/c1-3-4-13-15-16-14(23-13)18-7-11-20(12-8-18)24(21,22)19-9-5-17(2)6-10-19/h3-12H2,1-2H3
InChIKeyVWCPKTCCLPPYIL-UHFFFAOYSA-N
MW358.47 g/mol
LogP-0.36
Rot. Bonds5

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

2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-5-propyl-1,3,4-oxadiazole (PubChem CID 72870938) has the molecular formula C14H26N6O3S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-5-propyl-1,3,4-oxadiazole
PubChem CID72870938
Molecular FormulaC14H26N6O3S
Molecular Weight358.47 g/mol
Exact Mass358.18
IUPAC Name2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)o1
InChIInChI=1S/C14H26N6O3S/c1-3-4-13-15-16-14(23-13)18-7-11-20(12-8-18)24(21,22)19-9-5-17(2)6-10-19/h3-12H2,1-2H3
InChIKeyVWCPKTCCLPPYIL-UHFFFAOYSA-N
XLogP-0.36
TPSA86.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-5-propyl-1,3,4-oxadiazole (CID 72870938) is 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-5-propyl-1,3,4-oxadiazole is CCCc1nnc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)o1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-5-propyl-1,3,4-oxadiazole?
The InChIKey is VWCPKTCCLPPYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O3S/c1-3-4-13-15-16-14(23-13)18-7-11-20(12-8-18)24(21,22)19-9-5-17(2)6-10-19/h3-12H2,1-2H3.
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-5-propyl-1,3,4-oxadiazole?
2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-5-propyl-1,3,4-oxadiazole has a molecular weight of 358.47 g/mol, XLogP of -0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 72870938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).