2-cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

C18H26N2O3S — CID 2673930

IUPAC2-cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCCC3)CC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-15-6-8-17(9-7-15)24(22,23)20-12-10-19(11-13-20)18(21)14-16-4-2-3-5-16/h6-9,16H,2-5,10-14H2,1H3
InChIKeyYQDGQMALDUJQIO-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.41
Rot. Bonds4

About 2-cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

2-cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 2673930) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID2673930
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name2-cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCCC3)CC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-15-6-8-17(9-7-15)24(22,23)20-12-10-19(11-13-20)18(21)14-16-4-2-3-5-16/h6-9,16H,2-5,10-14H2,1H3
InChIKeyYQDGQMALDUJQIO-UHFFFAOYSA-N
XLogP2.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone (CID 2673930) is 2-cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCCC3)CC2)cc1.
What is the InChIKey of 2-cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is YQDGQMALDUJQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-15-6-8-17(9-7-15)24(22,23)20-12-10-19(11-13-20)18(21)14-16-4-2-3-5-16/h6-9,16H,2-5,10-14H2,1H3.
What are the key properties of 2-cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
2-cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 350.48 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 2673930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).