Cas no 16168-25-5 (1-Piperidinesulfonamide,3,5-dimethyl-,cis-(8CI))
16168-25-5 structure
Product Name:1-Piperidinesulfonamide,3,5-dimethyl-,cis-(8CI)
CAS No:16168-25-5
MF:C7H16N2O2S
MW:192.279140472412
CID:121456
Update Time:2024-01-24
1-Piperidinesulfonamide,3,5-dimethyl-,cis-(8CI) Chemical and Physical Properties
Names and Identifiers
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- 1-Piperidinesulfonamide,3,5-dimethyl-,cis-(8CI)
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- Inchi： 1S/C7H16N2O2S/c1-6-3-7(2)5-9(4-6)12(8,10)11/h6-7H,3-5H2,1-2H3,(H2,8,10,11)/t6-,7+
- InChI Key： XCTJSFUMPBDEIH-KNVOCYPGSA-N
- SMILES： N1(S(N)(=O)=O)C[C@@H](C)C[C@@H](C)C1
Computed Properties
- Exact Mass: 192.093
- Monoisotopic Mass: 192.093
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 235
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 71.8A^2
Experimental Properties
- Density: 1.22±0.1 g/cm3(Predicted)
- Boiling Point: 306.6±25.0 °C(Predicted)
- pka: 12.74±0.60(Predicted)
1-Piperidinesulfonamide,3,5-dimethyl-,cis-(8CI) Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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