chempirical

Acetamide, N-(5,6-dihydro-6-methyl-7,7-dioxido-4H-thieno[2,3-B]thiopyran-4-yl)-, (4S-trans)-

C10H13NO3S2CAS 147086-83-7259.34 g/mol

Open in Covalent MOL file
OHNSOOS
Sulfone

Properties

Molecular formula
C10H13NO3S2
Molar mass
259.34 g/mol
Exact mass
259.0337 Da
logP
2.33Crippen estimate
Polar surface area
66.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
147086-83-7
SMILES
CC(O)=N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21
InChIKey
WJXLCNFSFHSWMJ-RCOVLWMOSA-N
InChI
InChI=1S/C10H13NO3S2/c1-6-5-9(11-7(2)12)8-3-4-15-10(8)16(6,13)14/h3-4,6,9H,5H2,1-2H3,(H,11,12)/t6-,9-/m0/s1

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Names and synonyms

2 names
  • Acetamide, N-(5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-4-yl)-, S,S-dioxide, (4S-trans)-
  • 4H-Thieno[2,3-b]thiopyran, acetamide deriv.

Work with Acetamide, N-(5,6-dihydro-6-methyl-7,7-dioxido-4H-thieno[2,3-B]thiopyran-4-yl)-, (4S-trans)-

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

N-[(4S,6S)-2-(Aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxido-4H-thieno[2,3-B]thiopyran-4-yl]acetamide147200-03-160 % similar (4S,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran 7,7-dioxide147086-81-557 % similar (4R,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide147128-77-657 % similar N-Acetyl-L-leucine1188-21-230 % similar N-[(1S)-1-(4-Bromophenyl)ethyl]acetamide186296-23-130 % similar Acetylleucine99-15-030 % similar N-2-Thienylacetamide13053-81-130 % similar

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

Elsewhere

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