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

C18H26N2O3S — CID 110364805

IUPACcyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
SMILESCc1ccccc1CS(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H26N2O3S/c1-15-6-2-3-9-17(15)14-24(22,23)20-12-10-19(11-13-20)18(21)16-7-4-5-8-16/h2-3,6,9,16H,4-5,7-8,10-14H2,1H3
InChIKeyPJXZEMIWBGMIJB-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.16
Rot. Bonds4

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

cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone (PubChem CID 110364805) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
PubChem CID110364805
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Namecyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
SMILESCc1ccccc1CS(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H26N2O3S/c1-15-6-2-3-9-17(15)14-24(22,23)20-12-10-19(11-13-20)18(21)16-7-4-5-8-16/h2-3,6,9,16H,4-5,7-8,10-14H2,1H3
InChIKeyPJXZEMIWBGMIJB-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 110797601
cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110364822
4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide
CID 110637840
(2-chlorophenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365481
methyl 4-[(2-methylphenyl)methylsulfonyl]-1,4-diazepane-1-carboxylate
CID 110799061
N-tert-butyl-4-[(2-methylphenyl)methylsulfonyl]-1,4-diazepane-1-carboxamide
CID 110812024
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 46770473
4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 84528878
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 110797863
4-[(2-methylphenyl)methylsulfonyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110812023
1-[4-[(2-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797268
[4-[(2-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 110798877

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone (CID 110364805) is cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone is Cc1ccccc1CS(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone?
The InChIKey is PJXZEMIWBGMIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-15-6-2-3-9-17(15)14-24(22,23)20-12-10-19(11-13-20)18(21)16-7-4-5-8-16/h2-3,6,9,16H,4-5,7-8,10-14H2,1H3.
What are the key properties of cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone?
cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone has a molecular weight of 350.48 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110364805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).