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Structure

trans-1,1-Dioxo-4-[(pyridin-3-ylmethyl)-amino]-tetrahydrothiophen-3-ol dihydrochloride

CAS
916901-07-0
Catalog Number
ACM916901070
Category
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Specification

Synonyms
trans-1,1-Dioxo-4-[(pyridin-3-ylmethyl)-amino]-tetrahydro-1lambdathiophen-3-ol dihydrochloride
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.

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