cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

C18H26N2O3S — CID 8924226

IUPACcyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C18H26N2O3S/c1-14-7-8-15(2)17(13-14)24(22,23)20-11-9-19(10-12-20)18(21)16-5-3-4-6-16/h7-8,13,16H,3-6,9-12H2,1-2H3
InChIKeyQGXCHKUCZFYNFC-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.33
Rot. Bonds3

About cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 8924226) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID8924226
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Namecyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C18H26N2O3S/c1-14-7-8-15(2)17(13-14)24(22,23)20-11-9-19(10-12-20)18(21)16-5-3-4-6-16/h7-8,13,16H,3-6,9-12H2,1-2H3
InChIKeyQGXCHKUCZFYNFC-UHFFFAOYSA-N
XLogP2.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[4-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55853869
cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347019
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120617014
cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110364822
[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 49457529
[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate
CID 9202129
2-bicyclo[2.2.1]heptanyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 51261990
(4-benzhydrylpiperazin-1-yl)-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 100780620
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 39977467
3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 7979894
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26051093
cyclopropyl-[4-(2-methyl-5-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110797149

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 8924226) is cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C3CCCC3)CC2)c1.
What is the InChIKey of cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is QGXCHKUCZFYNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14-7-8-15(2)17(13-14)24(22,23)20-11-9-19(10-12-20)18(21)16-5-3-4-6-16/h7-8,13,16H,3-6,9-12H2,1-2H3.
What are the key properties of cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 350.48 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 8924226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).