Cas no 338731-03-6 (1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, 1-(phenylsulfonyl)-)
![1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, 1-(phenylsulfonyl)- structure](https://ossimg.kuujia.com/scimg/339000/338731-03-6x500.png)
338731-03-6 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, 1-(phenylsulfonyl)-
CAS No:338731-03-6
MF:C15H15N3O2S
MW:301.363501787186
CID:832920
Update Time:2026-04-29
1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, 1-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, 1-(phenylsulfonyl)-
- 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-sulfonic acid
- 1-(tert-butoxycarbonyl)piperidine-3-sulfonic acid
-
- Inchi： InChI=1S/C15H15N3O2S/c16-9-8-12-11-18(15-14(12)7-4-10-17-15)21(19,20)13-5-2-1-3-6-13/h1-7,10-11H,8-9,16H2
- InChI Key： FTOKPBFHDDKONI-UHFFFAOYSA-N
- SMILES： C1=CC=C(C=C1)S(=O)(=O)N2C=C(CCN)C3=C2N=CC=C3
Computed Properties
- Exact Mass: 301.08800
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 379
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.6
Experimental Properties
- PSA: 86.36000
- LogP: 3.55560
1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, 1-(phenylsulfonyl)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
338731-03-6 (1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, 1-(phenylsulfonyl)-) Related Products
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