orb1695260
C₁₀H₁₄N₂O₄S₂·290.400 g/mol·CID 44327121
IUPAC: (5R,6S)-3-(2-aminoethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also known as: CHEMBL1205435, SCHEMBL11195768, DTXSID50993670, AKOS040753973, T34569 (+2 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
290.400g/mol
Exact Mass
290.039499Da
Monoisotopic Mass
290.039499Da
XLogP
-2.4
Polar Surface Area
154.0Ų
Complexity
426
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
7
Rotatable Bonds
5
Heavy Atoms
18
Stereo Centers
3
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 290.4 g/mol
MW ≤ 500
✓ -2.4
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 7
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C10H14N2O4S2/c1-4(13)5-7(14)12-6(9(15)16)10(17-3-2-11)18-8(5)12/h4-5,8,13H,2-3,11H2,1H3,(H,15,16)/t4-,5+,8-/m1/s1
Isomers8 compounds with formula C₁₀H₁₄N₂O₄S₂
4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
CID 5356 · 290.4 g/mol
5-[(2-methoxyethylamino)methyl]thieno[2,3-b]furan-2-sulfonamide
CID 14327013 · 290.4 g/mol
4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 788064 · 290.4 g/mol
1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-4-methoxybenzene
CID 99146 · 290.4 g/mol
N-[4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]sulfonylphenyl]acetamide
CID 4647480 · 290.4 g/mol
N-(3-methoxypropyl)-2-(2-nitrothiophen-3-yl)sulfanylacetamide
CID 16195341 · 290.4 g/mol
methyl [2-methyl-2-(4-methylphenyl)sulfonylhydrazinyl]sulfanylformate
CID 13663339 · 290.4 g/mol
methyl (2-benzylsulfonyl-2-methylhydrazinyl)sulfanylformate
CID 14498211 · 290.4 g/mol