chempirical

Dorzolamide

C10H16N2O4S3CAS 120279-96-1324.43 g/mol

Open in Covalent MOL file
HNSOOSSNH2OO
Secondary amineSulfonamideSulfone

Properties

Molecular formula
C10H16N2O4S3
Molar mass
324.43 g/mol
Exact mass
324.0272 Da
logP
0.61Crippen estimate
Polar surface area
106.3 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
120279-96-1
SMILES
CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIKey
IAVUPMFITXYVAF-XPUUQOCRSA-N
InChI
InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1

Weigh it out

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

Names and synonyms

4 names
  • 4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S,6S)-
  • 4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S-trans)-
  • 4S,6S-Dorzolamide
  • (4S,6S)-4-(Ethylamino)-5,6-dihydro-6-methyl-4H-thieno-[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide

Work with Dorzolamide

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

Similar compounds

Dorzolamide hydrochloride130693-82-293 % similar N-[(4S,6S)-2-(Aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxido-4H-thieno[2,3-B]thiopyran-4-yl]acetamide147200-03-155 % similar Brinzolamide138890-62-750 % similar (4S,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran 7,7-dioxide147086-81-533 % similar (4R,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide147128-77-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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