N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide

C17H25N3O4S — CID 131642760

About N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide

N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide (PubChem CID 131642760) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

• Compound Name: N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide
• PubChem CID: 131642760
• Molecular Formula: C17H25N3O4S
• Molecular Weight: 367.47 g/mol
• Exact Mass: 367.16
• IUPAC Name: N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide
• SMILES: Cc1cccc(COCC2CCS(=O)(=O)C23CN(C(=O)N(C)C)C3)n1
• InChI: InChI=1S/C17H25N3O4S/c1-13-5-4-6-15(18-13)10-24-9-14-7-8-25(22,23)17(14)11-20(12-17)16(21)19(2)3/h4-6,14H,7-12H2,1-3H3
• InChIKey: HUCMNDWBYZKOEO-UHFFFAOYSA-N
• XLogP: 1.08
• TPSA: 79.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.47
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide?

The IUPAC name of N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide (CID 131642760) is N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide.

What is the SMILES notation for N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide?

The canonical SMILES for N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide is Cc1cccc(COCC2CCS(=O)(=O)C23CN(C(=O)N(C)C)C3)n1.

What is the InChIKey of N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide?

The InChIKey is HUCMNDWBYZKOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-13-5-4-6-15(18-13)10-24-9-14-7-8-25(22,23)17(14)11-20(12-17)16(21)19(2)3/h4-6,14H,7-12H2,1-3H3.

What are the key properties of N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide?

N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-8-[(6-methyl-2-pyridinyl)methoxymethyl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 131642760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).