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147200-03-1 | Acetamide, N-[(4S,6S)-2-(aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxido-4H-thieno[2,3-b]thiopyran-4-yl]-
CAS No: 147200-03-1 Catalog No: AG001EOL MDL No:MFCD12407171
Product Description
Catalog Number:
AG001EOL
Chemical Name:
Acetamide, N-[(4S,6S)-2-(aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxido-4H-thieno[2,3-b]thiopyran-4-yl]-
CAS Number:
147200-03-1
Molecular Formula:
C10H14N2O5S3
Molecular Weight:
338.4236
MDL Number:
MFCD12407171
IUPAC Name:
N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide
InChI:
InChI=1S/C10H14N2O5S3/c1-5-3-8(12-6(2)13)7-4-9(20(11,16)17)18-10(7)19(5,14)15/h4-5,8H,3H2,1-2H3,(H,12,13)(H2,11,16,17)/t5-,8-/m0/s1
InChI Key:
MQRCTNZVQVRCRD-XNCJUZBTSA-N
SMILES:
CC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
338.006g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.411g/mol
Monoisotopic Mass:
338.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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