[(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone

C14H20N2O3S — CID 97094162

IUPAC[(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESC[C@@H]1CN(C)CCN1C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O3S/c1-11-10-15(2)7-8-16(11)14(17)12-5-4-6-13(9-12)20(3,18)19/h4-6,9,11H,7-8,10H2,1-3H3/t11-/m1/s1
InChIKeyWXNQJNMYMYPOCX-LLVKDONJSA-N
MW296.39 g/mol
LogP0.87
Rot. Bonds2

About [(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone

[(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone (PubChem CID 97094162) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is [(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone
PubChem CID97094162
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name[(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESC[C@@H]1CN(C)CCN1C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O3S/c1-11-10-15(2)7-8-16(11)14(17)12-5-4-6-13(9-12)20(3,18)19/h4-6,9,11H,7-8,10H2,1-3H3/t11-/m1/s1
InChIKeyWXNQJNMYMYPOCX-LLVKDONJSA-N
XLogP0.87
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)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

(3-aminophenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103814619
(4-chloro-3-methylsulfonylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877222
(3,4-dihydroxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103957022
(3-aminoazetidin-1-yl)-(3-methylsulfonylphenyl)methanone
CID 63753281
[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95303191
1-[3-(2,4-dimethylpiperazin-1-yl)sulfonylphenyl]propan-1-one
CID 103823680
(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 113233774
1-(3-methylsulfonylbenzoyl)piperidin-4-one
CID 22397490
5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 71877292
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
3-(3-methylsulfonylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43099503
(4R)-3-(3-methylsulfonylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 29045368

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone?
The IUPAC name of [(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone (CID 97094162) is [(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for [(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for [(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone is C[C@@H]1CN(C)CCN1C(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of [(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone?
The InChIKey is WXNQJNMYMYPOCX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-10-15(2)7-8-16(11)14(17)12-5-4-6-13(9-12)20(3,18)19/h4-6,9,11H,7-8,10H2,1-3H3/t11-/m1/s1.
What are the key properties of [(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone?
[(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone has a molecular weight of 296.39 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 97094162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).