Cas no 309271-25-8 (Piperazine, 1-[(4-acetylphenyl)sulfonyl]-4-methyl-)
![Piperazine, 1-[(4-acetylphenyl)sulfonyl]-4-methyl- structure](https://ossimg.kuujia.com/scimg/309500/309271-25-8x500.png)
309271-25-8 structure
Product Name:Piperazine, 1-[(4-acetylphenyl)sulfonyl]-4-methyl-
CAS No:309271-25-8
MF:C13H18N2O3S
MW:282.358622074127
CID:1444828
PubChem ID:567241
Update Time:2025-04-20
Piperazine, 1-[(4-acetylphenyl)sulfonyl]-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Piperazine, 1-[(4-acetylphenyl)sulfonyl]-4-methyl-
- 1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanone
- 1-{4-[(4-methylpiperazino)sulfonyl]phenyl}-1-ethanone
- SMR000274270
- MLS000714290
- CPSMBILYGPIPPN-UHFFFAOYSA-N
- STK662484
- ST009212
- DTXSID00340771
- AKOS000507171
- 1-[4-(4-Methyl-piperazine-1-sulfonyl)-phenyl]-ethanone
- SR-01000525508
- SCHEMBL5560091
- 1-(4-[(4-Methyl-1-piperazinyl)sulfonyl]phenyl)ethanone #
- SR-01000525508-1
- Piperazine, 1-(4-acetylphenylsulfonyl)-4-methyl-
- HMS2680O13
- CHEMBL1313556
- 1-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}ethanone
- 309271-25-8
-
- Inchi： 1S/C13H18N2O3S/c1-11(16)12-3-5-13(6-4-12)19(17,18)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3
- InChI Key： CPSMBILYGPIPPN-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C(C)=O)=CC=1)(N1CCN(C)CC1)(=O)=O
Computed Properties
- Exact Mass: 282.10394
- Monoisotopic Mass: 282.10381361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 414
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 66.1?2
Experimental Properties
- PSA: 57.69
Piperazine, 1-[(4-acetylphenyl)sulfonyl]-4-methyl- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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