N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-2-oxoethyl]sulfanyl-N-methylacetamide

C26H50N4O4S — CID 89408888

About N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-2-oxoethyl]sulfanyl-N-methylacetamide

N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-2-oxoethyl]sulfanyl-N-methylacetamide (PubChem CID 89408888) has the molecular formula C26H50N4O4S and a molecular weight of 514.78 g/mol. Its IUPAC name is N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-2-oxoethyl]sulfanyl-N-methylacetamide.

Molecular Properties

• Compound Name: N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
• PubChem CID: 89408888
• Molecular Formula: C26H50N4O4S
• Molecular Weight: 514.78 g/mol
• Exact Mass: 514.36
• IUPAC Name: N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
• SMILES: CON1C(C)(C)CC(N(C)C(=O)CSCC(=O)N(C)C2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C
• InChI: InChI=1S/C26H50N4O4S/c1-23(2)13-19(14-24(3,4)29(23)33-11)27(9)21(31)17-35-18-22(32)28(10)20-15-25(5,6)30(34-12)26(7,8)16-20/h19-20H,13-18H2,1-12H3
• InChIKey: SQCOWPKABPSPQS-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 65.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.78
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-2-oxoethyl]sulfanyl-N-methylacetamide?

The IUPAC name of N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-2-oxoethyl]sulfanyl-N-methylacetamide (CID 89408888) is N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-2-oxoethyl]sulfanyl-N-methylacetamide.

What is the SMILES notation for N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-2-oxoethyl]sulfanyl-N-methylacetamide?

The canonical SMILES for N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-2-oxoethyl]sulfanyl-N-methylacetamide is CON1C(C)(C)CC(N(C)C(=O)CSCC(=O)N(C)C2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C.

What is the InChIKey of N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-2-oxoethyl]sulfanyl-N-methylacetamide?

The InChIKey is SQCOWPKABPSPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N4O4S/c1-23(2)13-19(14-24(3,4)29(23)33-11)27(9)21(31)17-35-18-22(32)28(10)20-15-25(5,6)30(34-12)26(7,8)16-20/h19-20H,13-18H2,1-12H3.

What are the key properties of N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-2-oxoethyl]sulfanyl-N-methylacetamide?

N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-2-oxoethyl]sulfanyl-N-methylacetamide has a molecular weight of 514.78 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-2-oxoethyl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 89408888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).