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

C17H24N2O3S — CID 110364822

IUPACcyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C17H24N2O3S/c1-14-6-2-5-9-16(14)23(21,22)19-12-10-18(11-13-19)17(20)15-7-3-4-8-15/h2,5-6,9,15H,3-4,7-8,10-13H2,1H3
InChIKeyQGNQRXJUPDPFHB-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.02
Rot. Bonds3

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

cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 110364822) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID110364822
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Namecyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C17H24N2O3S/c1-14-6-2-5-9-16(14)23(21,22)19-12-10-18(11-13-19)17(20)15-7-3-4-8-15/h2,5-6,9,15H,3-4,7-8,10-13H2,1H3
InChIKeyQGNQRXJUPDPFHB-UHFFFAOYSA-N
XLogP2.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8924226
cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
CID 24945401
cyclohexyl-[4-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55853869
[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclobutylmethanone
CID 110799419
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110364805
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 113004619
cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347022
cyclobutyl-[4-(4-methoxy-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110799397
cyclopentyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 38838505
[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-cyclopentylmethanone
CID 8699978
cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347019

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 110364822) is cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is QGNQRXJUPDPFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-14-6-2-5-9-16(14)23(21,22)19-12-10-18(11-13-19)17(20)15-7-3-4-8-15/h2,5-6,9,15H,3-4,7-8,10-13H2,1H3.
What are the key properties of cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone?
cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 336.46 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 110364822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).