Cas no 109482-82-8 (1-Propanone,2-amino-1-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-)
![1-Propanone,2-amino-1-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]- structure](https://ossimg.kuujia.com/scimg/109500/109482-82-8x500.png)
109482-82-8 structure
Product Name:1-Propanone,2-amino-1-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-
CAS No:109482-82-8
MF:C13H14N2O3S
MW:278.326861858368
CID:229644
PubChem ID:184079
Update Time:2025-04-19
1-Propanone,2-amino-1-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone,2-amino-1-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-
- 2-amino-1-[1-(benzenesulfonyl)pyrrol-3-yl]propan-1-one
- 2-amino-1-[1-(phenylsulfonyl)-1h-pyrrol-3-yl]propan-1-one
- AC1L4E7K
- AC1Q5FSC
- ACMC-20cpag
- AG-J-38296
- AR-1D8103
- CTK4A6534
- 1-Phenylsulfonyl-3-(2-amino)propionylpyrrole
- 2-Amino-1-(1-(phenylsulfonyl)-1H-pyrrol-3-yl)propan-1-one
- 2-Amino-1-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]propan-1-one
- DTXSID40911207
- 1H-Pyrrole, 3-(2-amino-1-oxopropyl)-1-(phenylsulfonyl)-
- 109482-82-8
-
- Inchi： 1S/C13H14N2O3S/c1-10(14)13(16)11-7-8-15(9-11)19(17,18)12-5-3-2-4-6-12/h2-10H,14H2,1H3
- InChI Key： GNUBXIKLLAADKR-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(N1C=CC(C(C(C)N)=O)=C1)(=O)=O
Computed Properties
- Exact Mass: 278.07262
- Monoisotopic Mass: 278.07251349g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 424
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 90.5?2
Experimental Properties
- PSA: 82.16
1-Propanone,2-amino-1-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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