(4s-Trans)-4-(Methylamino)-5,6-Dihydro-6-Methyl-4h-Thieno(2,3-B)Thiopyran-2-Sulfonamide-7,7-Dioxide
Thuốc Gốc
Small Molecule
CTHH: C9H14N2O4S3
PTK: 310.413
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H14N2O4S3
Phân tử khối
310.413
Monoisotopic mass
310.011569016
InChI
InChI=1S/C9H14N2O4S3/c1-5-3-7(11-2)6-4-8(18(10,14)15)16-9(6)17(5,12)13/h4-5,7,11H,3H2,1-2H3,(H2,10,14,15)/t5-,7+/m0/s1
InChI Key
InChIKey=PYXFWOIZPYXNRU-CAHLUQPWSA-N
IUPAC Name
(2S,4R)-2-methyl-4-(methylamino)-1,1-dioxo-2H,3H,4H-1$l^{6},7-thieno[2,3-b][1$l^{6}]thiopyran-6-sulfonamide
Traditional IUPAC Name
(2S,4R)-2-methyl-4-(methylamino)-1,1-dioxo-2H,3H,4H-1$l^{6},7-thieno[2,3-b][1$l^{6}]thiopyran-6-sulfonamide
SMILES
CN[C@@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O
Độ hòa tan
1.08e+00 g/l
logP
-0.51
logS
-2.5
pKa (strongest acidic)
8.18
pKa (Strongest Basic)
7.13
PSA
106.33 Å2
Refractivity
67.71 m3·mol-1
Polarizability
29.35 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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