3-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]amino]propane-1-sulfonic acid Openeye Name: 3-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]amino]propane-1-sulfonic acid CAS Name: 3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]amino]propane-1-sulfonic acid Traditional Name: 3-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]amino]propane-1-sulfonic acid Formula: C13H27NO3S MolecularWeight: 277.42338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)NCCCS(=O)(=O)O)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)NCCCS(=O)(=O)O)C(C)C

InChI

InChI=1S/C13H27NO3S/c1-10(2)12-6-5-11(3)9-13(12)14-7-4-8-18(15,16)17/h10-14H,4-9H2,1-3H3,(H,15,16,17)/t11-,12+,13-/m1/s1