N-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-4-oxopyrimidin-2-yl]-4-methylbenzenesulfonamide

C23H35N3O6SSi — CID 101247692

About N-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-4-oxopyrimidin-2-yl]-4-methylbenzenesulfonamide

N-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-4-oxopyrimidin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 101247692) has the molecular formula C23H35N3O6SSi and a molecular weight of 509.70 g/mol. Its IUPAC name is N-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-4-oxopyrimidin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-4-oxopyrimidin-2-yl]-4-methylbenzenesulfonamide
• PubChem CID: 101247692
• Molecular Formula: C23H35N3O6SSi
• Molecular Weight: 509.70 g/mol
• Exact Mass: 509.20
• IUPAC Name: N-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-4-oxopyrimidin-2-yl]-4-methylbenzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)Nc2nc(=O)c(C)cn2[C@H]2C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)cc1
• InChI: InChI=1S/C23H35N3O6SSi/c1-15-8-10-17(11-9-15)33(29,30)25-22-24-21(28)16(2)13-26(22)20-12-18(27)19(32-20)14-31-34(6,7)23(3,4)5/h8-11,13,18-20,27H,12,14H2,1-7H3,(H,24,25,28)/t18-,19+,20+/m0/s1
• InChIKey: YGRHDMGWQXPYNI-XUVXKRRUSA-N
• XLogP: 3.33
• TPSA: 119.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.70
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-4-oxopyrimidin-2-yl]-4-methylbenzenesulfonamide?

The IUPAC name of N-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-4-oxopyrimidin-2-yl]-4-methylbenzenesulfonamide (CID 101247692) is N-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-4-oxopyrimidin-2-yl]-4-methylbenzenesulfonamide.

What is the SMILES notation for N-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-4-oxopyrimidin-2-yl]-4-methylbenzenesulfonamide?

The canonical SMILES for N-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-4-oxopyrimidin-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(=O)c(C)cn2[C@H]2C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)cc1.

What is the InChIKey of N-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-4-oxopyrimidin-2-yl]-4-methylbenzenesulfonamide?

The InChIKey is YGRHDMGWQXPYNI-XUVXKRRUSA-N. The full InChI is InChI=1S/C23H35N3O6SSi/c1-15-8-10-17(11-9-15)33(29,30)25-22-24-21(28)16(2)13-26(22)20-12-18(27)19(32-20)14-31-34(6,7)23(3,4)5/h8-11,13,18-20,27H,12,14H2,1-7H3,(H,24,25,28)/t18-,19+,20+/m0/s1.

What are the key properties of N-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-4-oxopyrimidin-2-yl]-4-methylbenzenesulfonamide?

N-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-4-oxopyrimidin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 509.70 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-4-oxopyrimidin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 101247692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).