936233-14-6 Purity
96%
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Specification
The molecular weight of (R)-Isoquinoline-5-sulfonic acid(pyrrolidin-2-ylmethyl)-amide is 291.37 g/mol.
The IUPAC name of (R)-Isoquinoline-5-sulfonic acid(pyrrolidin-2-ylmethyl)-amide is N-[[(2R)-pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide.
The InChI of (R)-Isoquinoline-5-sulfonic acid(pyrrolidin-2-ylmethyl)-amide is InChI=1S/C14H17N3O2S/c18-20(19,17-10-12-4-2-7-16-12)14-5-1-3-11-9-15-8-6-13(11)14/h1,3,5-6,8-9,12,16-17H,2,4,7,10H2/t12-/m1/s1.
The Canonical SMILES of (R)-Isoquinoline-5-sulfonic acid(pyrrolidin-2-ylmethyl)-amide is C1CC(NC1)CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3.
The Isomeric SMILES of (R)-Isoquinoline-5-sulfonic acid(pyrrolidin-2-ylmethyl)-amide is C1C[C@@H](NC1)CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3.
The XLogP3-AA value of (R)-Isoquinoline-5-sulfonic acid(pyrrolidin-2-ylmethyl)-amide is 1.2.
(R)-Isoquinoline-5-sulfonic acid(pyrrolidin-2-ylmethyl)-amide has 2 hydrogen bond donor counts.
(R)-Isoquinoline-5-sulfonic acid(pyrrolidin-2-ylmethyl)-amide has 5 hydrogen bond acceptor counts.
(R)-Isoquinoline-5-sulfonic acid(pyrrolidin-2-ylmethyl)-amide has 4 rotatable bond counts.
The topological polar surface area of (R)-Isoquinoline-5-sulfonic acid(pyrrolidin-2-ylmethyl)-amide is 79.5?2.