(2R)-Bornane-10,2-sultam

C10H17NO2SCAS 94594-90-8215.31 g/mol

Open in Covalent MOL file
SOOHN
Sulfonamide

Properties

Molecular formula
C10H17NO2S
Molar mass
215.31 g/mol
Exact mass
215.0980 Da
logP
1.11Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
94594-90-8
SMILES
CC1(C2CCC13CS(=O)(=O)NC3C2)C
InChIKey
DPJYJNYYDJOJNO-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7-8,11H,3-6H2,1-2H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 4.70 (br d, J = 5.0 Hz, 1H), 3.36 (td, J = 7.0, 5.0 Hz, 1H), 2.99 (s, 2H), 1.79 (t, J = 7.0 Hz, 2H), 1.51 (m, J = 7.0 Hz, 1H), 1.51 (m, J = 7.0 Hz, 2H), 1.51 (m, J = 7.0 Hz, 2H), 0.86 (s, 6H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 68.8, 61.3, 56.3, 53.8, 42.8, 35.8, 34.3, 28.8, 19.1.
[M + H]+
[M + H]+ Calcd for C10H18NO2S 216.1053
[M + Na]+
[M + Na]+ Calcd for C10H17NNaO2S 238.0872
[M − H]−
[M − H]− Calcd for C10H16NO2S 214.0907
Elemental analysis
Anal. Calcd for C10H17NO2S: C, 55.78; H, 7.96; N, 6.51; S, 14.89.

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with (2R)-Bornane-10,2-sultam

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2S)-Bornane-10,2-sultam108448-77-7Defined stereoisomer

Similar compounds

(1R)-10,10-Dimethyl-3λ[6]-thia-4-azatricyclo[5.2.1.0[1,5]]dec-4-ene-3,3-dione107869-45-434 % similar (3aS,6R)-8,8-Dimethyl-4,5,6,7-tetrahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide60886-80-834 % similar Camphor-10-sulfonyl chloride21286-54-433 % similar D-Camphorsulfonic acid3144-16-933 % similar (-)-Camphorsulfonic acid35963-20-333 % similar DL-Camphorsulfonic acid5872-08-233 % similar Isoborneol124-76-531 % similar (+)-Bornylamine32511-34-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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