What is the chemical formula of (S)-3-Isopropyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride?
The chemical formula is C14H23ClN2O3S.
What is the molecular weight of (S)-3-Isopropyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride?
The molecular weight is 334.9 g/mol.
What is the IUPAC name of (S)-3-Isopropyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride?
The IUPAC name is (3S)-1-(2-methoxyphenyl)sulfonyl-3-propan-2-ylpiperazine; hydrochloride.
What is the InChI of (S)-3-Isopropyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride?
The InChI is InChI=1S/C14H22N2O3S.ClH/c1-11(2)12-10-16(9-8-15-12)20(17,18)14-7-5-4-6-13(14)19-3;/h4-7,11-12,15H,8-10H2,1-3H3;1H/t12-;/m1./s1.
What is the Canonical SMILES of (S)-3-Isopropyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride?
The Canonical SMILES is CC(C)C1CN(CCN1)S(=O)(=O)C2=CC=CC=C2OC.Cl.
What is the hydrogen bond donor count of (S)-3-Isopropyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride?
The hydrogen bond donor count is 2.
What is the hydrogen bond acceptor count of (S)-3-Isopropyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride?
The hydrogen bond acceptor count is 5.
How many rotatable bonds are there in (S)-3-Isopropyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride?
There are 4 rotatable bonds.
What is the topological polar surface area of (S)-3-Isopropyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride?
The topological polar surface area is 67.2.
Is (S)-3-Isopropyl-1-(2-methoxy-benzenesulfonyl)-piperazine hydrochloride a canonicalized compound?
Yes, it is a canonicalized compound.