7533 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 16 8 8 8 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 2 3 4 5 24 6 23 7 8 12 9 13 14 10 15 16 11 17 18 11 19 20 21 22 1 2 2 1 1 1 1 1 1 1 1 1 1 1 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 15 16 17 18 19 20 21 22 23 24 3.732 4.5981 3.232 4.232 2.866 2.866 2 3.732 2 3.732 2.866 3.403 1.788 1.3894 4.3426 3.9441 1.3894 1.788 3.9441 4.3426 2.4675 3.2646 2.3291 4.5981 1.19 1.69 2.056 0.324 0.69 -0.31 -0.81 -0.81 -1.81 -1.81 -2.31 0 -0.2274 -0.9177 -0.9177 -0.2274 -1.7023 -2.3926 -2.3926 -1.7023 -2.7849 -2.7849 1 2.31 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 200 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 00000371C0623000400000000000000000000000000000000000300000000000000000000000001C00104800000828C100040000004000800000000000300000000000000000800000000000020080000000000010000000011000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclohexylsulfamic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclohexylsulfamic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclohexylsulfamic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclohexylsulfamic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 cyclohexylsulfamic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 HCAJEUSONLESMK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.6 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 179.061614 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H13NO3S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 179.23732 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1CCC(CC1)NS(=O)(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1CCC(CC1)NS(=O)(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 74.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 179.061614 11 0 0 0 0 0 0 0 1 1