1123 1 2 3 4 5 6 7 8 9 10 11 12 13 14 16 8 8 8 7 6 6 1 1 1 1 1 1 1 1 1 1 1 2 5 5 5 6 6 6 7 7 2 3 4 6 14 7 12 13 7 8 9 10 11 1 2 2 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 3.403 2.5369 2.903 3.903 6.001 4.269 5.135 4.6675 3.8705 4.7365 5.5335 6.538 6.001 2 -0.127 -0.627 0.739 -0.993 0.373 0.373 -0.127 0.848 0.848 -0.6019 -0.6019 0.063 0.993 -0.317 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 120 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180423000400000000000000000000000000000000000000000000000000000000000001C04100800000000C540048000004000820000000000704000000000000000800000000000000000000000000010000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-aminoethanesulfonic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-aminoethanesulfonic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-aminoethanesulfonic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-azanylethanesulfonic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-aminoethanesulfonic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 XOAAWQZATWQOTB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -4.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 125.014664 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C2H7NO3S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 125.14688 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(CS(=O)(=O)O)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(CS(=O)(=O)O)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 88.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 125.014664 7 0 0 0 0 0 0 0 1 1