tert-butyl-[1-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]-3-pyridinyl]ethoxy]-dimethylsilane

C34H48N2O4SSi — CID 59331595

About tert-butyl-[1-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]-3-pyridinyl]ethoxy]-dimethylsilane

tert-butyl-[1-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]-3-pyridinyl]ethoxy]-dimethylsilane (PubChem CID 59331595) has the molecular formula C34H48N2O4SSi and a molecular weight of 608.92 g/mol. Its IUPAC name is tert-butyl-[1-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]-3-pyridinyl]ethoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[1-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]-3-pyridinyl]ethoxy]-dimethylsilane
• PubChem CID: 59331595
• Molecular Formula: C34H48N2O4SSi
• Molecular Weight: 608.92 g/mol
• Exact Mass: 608.31
• IUPAC Name: tert-butyl-[1-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]-3-pyridinyl]ethoxy]-dimethylsilane
• SMILES: Cc1cc(C(CC2CCOCC2)c2ccc(S(=O)(=O)C3CC3)cc2)[nH]c1-c1ccc(C(C)O[Si](C)(C)C(C)(C)C)cn1
• InChI: InChI=1S/C34H48N2O4SSi/c1-23-20-32(36-33(23)31-15-10-27(22-35-31)24(2)40-42(6,7)34(3,4)5)30(21-25-16-18-39-19-17-25)26-8-11-28(12-9-26)41(37,38)29-13-14-29/h8-12,15,20,22,24-25,29-30,36H,13-14,16-19,21H2,1-7H3
• InChIKey: KSLXYFVGVIOCBJ-UHFFFAOYSA-N
• XLogP: 8.35
• TPSA: 81.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.92
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]-3-pyridinyl]ethoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[1-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]-3-pyridinyl]ethoxy]-dimethylsilane (CID 59331595) is tert-butyl-[1-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]-3-pyridinyl]ethoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[1-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]-3-pyridinyl]ethoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[1-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]-3-pyridinyl]ethoxy]-dimethylsilane is Cc1cc(C(CC2CCOCC2)c2ccc(S(=O)(=O)C3CC3)cc2)[nH]c1-c1ccc(C(C)O[Si](C)(C)C(C)(C)C)cn1.

What is the InChIKey of tert-butyl-[1-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]-3-pyridinyl]ethoxy]-dimethylsilane?

The InChIKey is KSLXYFVGVIOCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N2O4SSi/c1-23-20-32(36-33(23)31-15-10-27(22-35-31)24(2)40-42(6,7)34(3,4)5)30(21-25-16-18-39-19-17-25)26-8-11-28(12-9-26)41(37,38)29-13-14-29/h8-12,15,20,22,24-25,29-30,36H,13-14,16-19,21H2,1-7H3.

What are the key properties of tert-butyl-[1-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]-3-pyridinyl]ethoxy]-dimethylsilane?

tert-butyl-[1-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]-3-pyridinyl]ethoxy]-dimethylsilane has a molecular weight of 608.92 g/mol, XLogP of 8.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[1-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]-3-pyridinyl]ethoxy]-dimethylsilane is sourced from PubChem (CID 59331595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).