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

C20H30N2O4S — CID 110347022

IUPACcyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H30N2O4S/c1-15-13-18(26-3)19(14-16(15)2)27(24,25)22-11-9-21(10-12-22)20(23)17-7-5-4-6-8-17/h13-14,17H,4-12H2,1-3H3
InChIKeyOTAHHYSKINGPKQ-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.73
Rot. Bonds4

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

cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 110347022) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID110347022
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Namecyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H30N2O4S/c1-15-13-18(26-3)19(14-16(15)2)27(24,25)22-11-9-21(10-12-22)20(23)17-7-5-4-6-8-17/h13-14,17H,4-12H2,1-3H3
InChIKeyOTAHHYSKINGPKQ-UHFFFAOYSA-N
XLogP2.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818749
cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347019
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
cyclobutyl-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818774
[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 110818768
cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8924226
cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110364822
cyclohexyl-[4-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55853869
cyclobutyl-[4-(4-methoxy-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110799397
cyclopentyl-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807493
1-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817640
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 110347022) is cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is OTAHHYSKINGPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-15-13-18(26-3)19(14-16(15)2)27(24,25)22-11-9-21(10-12-22)20(23)17-7-5-4-6-8-17/h13-14,17H,4-12H2,1-3H3.
What are the key properties of cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 394.54 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 110347022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).