Cas no 67651-46-1 (1H-Azepine-1-sulfonamide, N-butylhexahydro-)
67651-46-1 structure
Product Name:1H-Azepine-1-sulfonamide, N-butylhexahydro-
CAS No:67651-46-1
MF:C10H22N2O2S
MW:234.358881473541
CID:387790
PubChem ID:71367847
Update Time:2025-04-19
1H-Azepine-1-sulfonamide, N-butylhexahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Azepine-1-sulfonamide, N-butylhexahydro-
- N-butylazepane-1-sulfonamide
- SCHEMBL21361488
- DTXSID90790948
- 67651-46-1
-
- Inchi： 1S/C10H22N2O2S/c1-2-3-8-11-15(13,14)12-9-6-4-5-7-10-12/h11H,2-10H2,1H3
- InChI Key： DEKJPNFJNXQPFR-UHFFFAOYSA-N
- SMILES： S(NCCCC)(N1CCCCCC1)(=O)=O
Computed Properties
- Exact Mass: 234.14019912g/mol
- Monoisotopic Mass: 234.14019912g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 251
- 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: 1.7
- Topological Polar Surface Area: 57.8?2
1H-Azepine-1-sulfonamide, N-butylhexahydro- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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