2-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]sulfanyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C20H32N4O7S — CID 46878337

About 2-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]sulfanyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]sulfanyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 46878337) has the molecular formula C20H32N4O7S and a molecular weight of 472.56 g/mol. Its IUPAC name is 2-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]sulfanyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

• Compound Name: 2-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]sulfanyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• PubChem CID: 46878337
• Molecular Formula: C20H32N4O7S
• Molecular Weight: 472.56 g/mol
• Exact Mass: 472.20
• IUPAC Name: 2-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]sulfanyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• SMILES: CC1(C)CC(NC(=O)CSc2cn(C3CC(O)C(CO)O3)c(=O)[nH]c2=O)CC(C)(C)N1O
• InChI: InChI=1S/C20H32N4O7S/c1-19(2)6-11(7-20(3,4)24(19)30)21-15(27)10-32-14-8-23(18(29)22-17(14)28)16-5-12(26)13(9-25)31-16/h8,11-13,16,25-26,30H,5-7,9-10H2,1-4H3,(H,21,27)(H,22,28,29)
• InChIKey: XCEISLRHYWZSDL-UHFFFAOYSA-N
• XLogP: -0.20
• TPSA: 157.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.56
LogP ≤ 5	-0.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]sulfanyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide?

The IUPAC name of 2-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]sulfanyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 46878337) is 2-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]sulfanyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

What is the SMILES notation for 2-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]sulfanyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide?

The canonical SMILES for 2-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]sulfanyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC1(C)CC(NC(=O)CSc2cn(C3CC(O)C(CO)O3)c(=O)[nH]c2=O)CC(C)(C)N1O.

What is the InChIKey of 2-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]sulfanyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide?

The InChIKey is XCEISLRHYWZSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O7S/c1-19(2)6-11(7-20(3,4)24(19)30)21-15(27)10-32-14-8-23(18(29)22-17(14)28)16-5-12(26)13(9-25)31-16/h8,11-13,16,25-26,30H,5-7,9-10H2,1-4H3,(H,21,27)(H,22,28,29).

What are the key properties of 2-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]sulfanyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide?

2-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]sulfanyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 472.56 g/mol, XLogP of -0.20, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]sulfanyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 46878337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).