(7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide

C14H21N3O3S2 — CID 124805254

About (7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide

(7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide (PubChem CID 124805254) has the molecular formula C14H21N3O3S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide.

Molecular Properties

• Compound Name: (7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide
• PubChem CID: 124805254
• Molecular Formula: C14H21N3O3S2
• Molecular Weight: 343.47 g/mol
• Exact Mass: 343.10
• IUPAC Name: (7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide
• SMILES: CN(C)S(=O)(=O)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1
• InChI: InChI=1S/C14H21N3O3S2/c1-16(2)22(18,19)17-10-14(11-17)6-13(9-21-14)20-8-12-4-3-5-15-7-12/h3-5,7,13H,6,8-11H2,1-2H3/t13-/m1/s1
• InChIKey: ZAEBRLUOJLACJO-CYBMUJFWSA-N
• XLogP: 0.96
• TPSA: 62.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.47
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide?

The IUPAC name of (7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide (CID 124805254) is (7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide.

What is the SMILES notation for (7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide?

The canonical SMILES for (7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide is CN(C)S(=O)(=O)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1.

What is the InChIKey of (7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide?

The InChIKey is ZAEBRLUOJLACJO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N3O3S2/c1-16(2)22(18,19)17-10-14(11-17)6-13(9-21-14)20-8-12-4-3-5-15-7-12/h3-5,7,13H,6,8-11H2,1-2H3/t13-/m1/s1.

What are the key properties of (7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide?

(7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide has a molecular weight of 343.47 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-N,N-dimethyl-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-sulfonamide is sourced from PubChem (CID 124805254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).