Cas no 460992-88-5 (3-Piperidinecarboxamide, N-cyclohexyl-1-(phenylsulfonyl)-)
460992-88-5 structure
Product Name:3-Piperidinecarboxamide, N-cyclohexyl-1-(phenylsulfonyl)-
CAS No:460992-88-5
MF:C18H26N2O3S
MW:350.475643634796
CID:2828191
PubChem ID:2982935
Update Time:2025-04-21
3-Piperidinecarboxamide, N-cyclohexyl-1-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Oprea1_091837
- 3-Piperidinecarboxamide, N-cyclohexyl-1-(phenylsulfonyl)-
- DTXSID20388079
- Oprea1_615363
- SCHEMBL609708
- 460992-88-5
-
- Inchi： 1S/C18H26N2O3S/c21-18(19-16-9-3-1-4-10-16)15-8-7-13-20(14-15)24(22,23)17-11-5-2-6-12-17/h2,5-6,11-12,15-16H,1,3-4,7-10,13-14H2,(H,19,21)
- InChI Key： KSQGJZYEUNXWIX-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(N1CCCC(C(NC2CCCCC2)=O)C1)(=O)=O
Computed Properties
- Exact Mass: 350.16641387Da
- Monoisotopic Mass: 350.16641387Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 517
- 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: 2.7
- Topological Polar Surface Area: 74.9?2
3-Piperidinecarboxamide, N-cyclohexyl-1-(phenylsulfonyl)- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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