(2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone

C14H20N2O3S — CID 47122985

IUPAC(2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C14H20N2O3S/c1-11-4-5-12(2)13(10-11)14(17)15-6-8-16(9-7-15)20(3,18)19/h4-5,10H,6-9H2,1-3H3
InChIKeyHYPIXIHONMXRPZ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.02
Rot. Bonds2

About (2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone

(2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 47122985) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID47122985
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C14H20N2O3S/c1-11-4-5-12(2)13(10-11)14(17)15-6-8-16(9-7-15)20(3,18)19/h4-5,10H,6-9H2,1-3H3
InChIKeyHYPIXIHONMXRPZ-UHFFFAOYSA-N
XLogP1.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-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

(5-amino-2-methylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61292135
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone
CID 9094624
(2,5-dimethylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 8924469
(2,5-dimethylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7809128
1-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803941
(2,5-dimethylphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 8924609
4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide
CID 115532362
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
[4-(2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808553
(3-methyl-2-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252177
(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809921

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 47122985) is (2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone is Cc1ccc(C)c(C(=O)N2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is HYPIXIHONMXRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-4-5-12(2)13(10-11)14(17)15-6-8-16(9-7-15)20(3,18)19/h4-5,10H,6-9H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 296.39 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 47122985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).