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Molecule
Cyclamate
CAS: 139-05-9 · C6H13NNaO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 139-05-9
- Molecular Formula
- C6H13NNaO3S
- Molecular Mass
- 202.23 g/mol
Identifiers
CAS Registry Number
139-05-9
SMILES
O=S(=O)(O)NC1CCCCC1.[Na]
InChI Key
HBYFMXJSJSZZBM-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);
Names and Synonyms
- Cyclamate Common Name
- Sulfamic acid, N-cyclohexyl-, sodium salt (1:1) Synonym
- Cyclohexanesulfamic acid, monosodium salt Synonym
- Sulfamic acid, cyclohexyl-, monosodium salt Synonym
- Cyclamate sodium Synonym
- Sodium cyclamate Synonym
- Sodium cyclohexanesulfamate Synonym
- Sodium cyclohexylsulfamate Synonym
- Sodium sucaryl Synonym
- Sucaryl sodium Synonym
- Asugryn Synonym
- N-Cyclohexylsulfamic acid sodium salt Synonym
- Cyclohexylsulfamate sodium Synonym
- Cyclohexylsulfamic acid sodium salt Synonym
- Suestamin Synonym
- Sugarin Synonym
- Sugaron Synonym
- Dulzor-Etas Synonym
- Hachi-Sugar Synonym
- Ibiosuc Synonym
- Sucrum 7 Synonym
- Suessette Synonym
- Sodium cyclohexylaminesulfonate Synonym
- Acofarinas Synonym
- Assugrin Synonym
- Azucrona Synonym
- Duplo-Sacarin Synonym
- Natreen Synonym
- Nutter Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.23 g/mol | CAS Common Chemistry |
| 202.23099999999994 g/mol | RDKit | |
| 202.231 g/mol | RDKit | |
| 203.232 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyclamate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(=O)(O)NC1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=HBYFMXJSJSZZBM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium cyclamate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.4 Ų | RDKit |
| LogP | 0.33069999999999977 | RDKit |
| 0.3307 | RDKit | |
| Molar Refractivity | 47.311300000000024 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 202.051383556 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 202.23 g/mol. Edit any field — others recompute live.
