[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate

C18H24N2O5S — CID 7717281

IUPAC[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C18H24N2O5S/c1-14-5-7-16(8-6-14)26(23,24)20-11-9-19(10-12-20)17(21)13-25-18(22)15-3-2-4-15/h5-8,15H,2-4,9-13H2,1H3
InChIKeyIDQHWQMBXLCMNB-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.17
Rot. Bonds5

About [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate

[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 7717281) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate
PubChem CID7717281
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C18H24N2O5S/c1-14-5-7-16(8-6-14)26(23,24)20-11-9-19(10-12-20)17(21)13-25-18(22)15-3-2-4-15/h5-8,15H,2-4,9-13H2,1H3
InChIKeyIDQHWQMBXLCMNB-UHFFFAOYSA-N
XLogP1.17
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate (CID 7717281) is [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate is Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C3CCC3)CC2)cc1.
What is the InChIKey of [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is IDQHWQMBXLCMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-14-5-7-16(8-6-14)26(23,24)20-11-9-19(10-12-20)17(21)13-25-18(22)15-3-2-4-15/h5-8,15H,2-4,9-13H2,1H3.
What are the key properties of [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate?
[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 380.47 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 7717281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).