What is the molecular weight of trans-1,1-Dioxo-4-[(pyridin-3-ylmethyl)-amino]-tetrahydrothiophen-3-ol dihydrochloride?
The molecular weight is 315.22 g/mol.
When was trans-1,1-Dioxo-4-[(pyridin-3-ylmethyl)-amino]-tetrahydrothiophen-3-ol dihydrochloride created?
It was created on February 16, 2015.
What is the IUPAC name of trans-1,1-Dioxo-4-[(pyridin-3-ylmethyl)-amino]-tetrahydrothiophen-3-ol dihydrochloride?
The IUPAC name is (3R,4R)-1,1-dioxo-4-(pyridin-3-ylmethylamino)thiolan-3-ol;dihydrochloride.
How many hydrogen bond donor counts does trans-1,1-Dioxo-4-[(pyridin-3-ylmethyl)-amino]-tetrahydrothiophen-3-ol dihydrochloride have?
It has 4 hydrogen bond donor counts.
What is the topological polar surface area of trans-1,1-Dioxo-4-[(pyridin-3-ylmethyl)-amino]-tetrahydrothiophen-3-ol dihydrochloride?
The topological polar surface area is 87.7 Å2.
Is trans-1,1-Dioxo-4-[(pyridin-3-ylmethyl)-amino]-tetrahydrothiophen-3-ol dihydrochloride a canonicalized compound?
Yes, the compound is canonicalized.
How many rotatable bond counts does trans-1,1-Dioxo-4-[(pyridin-3-ylmethyl)-amino]-tetrahydrothiophen-3-ol dihydrochloride have?
It has 3 rotatable bond counts.
What is the exact mass of trans-1,1-Dioxo-4-[(pyridin-3-ylmethyl)-amino]-tetrahydrothiophen-3-ol dihydrochloride?
The exact mass is 314.0258689 g/mol.
How many heavy atoms are present in the molecular formula of trans-1,1-Dioxo-4-[(pyridin-3-ylmethyl)-amino]-tetrahydrothiophen-3-ol dihydrochloride?
There are 18 heavy atoms.
What is the canonical SMILES representation of trans-1,1-Dioxo-4-[(pyridin-3-ylmethyl)-amino]-tetrahydrothiophen-3-ol dihydrochloride?
The canonical SMILES representation is C1C(C(CS1(=O)=O)O)NCC2=CN=CC=C2.Cl.Cl.