trimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane

C22H29N5O3SSi — CID 140751872

IUPACtrimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane
SMILESC[Si](C)(C)CCS(=O)(=O)c1nccc(-c2ccc(C3CCOCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C22H29N5O3SSi/c1-32(2,3)15-14-31(28,29)22-20(21-24-26-27-25-21)19(8-11-23-22)18-6-4-16(5-7-18)17-9-12-30-13-10-17/h4-8,11,17H,9-10,12-15H2,1-3H3,(H,24,25,26,27)
InChIKeyPIAQTGIBIAXTKR-UHFFFAOYSA-N
MW471.66 g/mol
LogP3.93
Rot. Bonds7

About trimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane

trimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane (PubChem CID 140751872) has the molecular formula C22H29N5O3SSi and a molecular weight of 471.66 g/mol. Its IUPAC name is trimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane
PubChem CID140751872
Molecular FormulaC22H29N5O3SSi
Molecular Weight471.66 g/mol
Exact Mass471.18
IUPAC Nametrimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane
SMILESC[Si](C)(C)CCS(=O)(=O)c1nccc(-c2ccc(C3CCOCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C22H29N5O3SSi/c1-32(2,3)15-14-31(28,29)22-20(21-24-26-27-25-21)19(8-11-23-22)18-6-4-16(5-7-18)17-9-12-30-13-10-17/h4-8,11,17H,9-10,12-15H2,1-3H3,(H,24,25,26,27)
InChIKeyPIAQTGIBIAXTKR-UHFFFAOYSA-N
XLogP3.93
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.66
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(4-(Tetrahydro-2H-pyran-4-yl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118257383
[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanol
CID 122694154
2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine
CID 122694159
2-methylsulfonyl-4-phenyl-3-(2H-tetrazol-5-yl)pyridine
CID 122694190
2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine
CID 122694194
2-methylsulfonyl-4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine
CID 122694196
4-(4-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine
CID 122694231
4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine
CID 122694234
[4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]phenyl]methanol
CID 140751852
trimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane
CID 140751875
4-[4-(Oxan-4-yl)phenyl]-2-(2-trimethylsilylethylsulfonyl)pyridine-3-carbonitrile
CID 140751886
4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzamide
CID 140751892

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane (CID 140751872) is trimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane is C[Si](C)(C)CCS(=O)(=O)c1nccc(-c2ccc(C3CCOCC3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of trimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane?
The InChIKey is PIAQTGIBIAXTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3SSi/c1-32(2,3)15-14-31(28,29)22-20(21-24-26-27-25-21)19(8-11-23-22)18-6-4-16(5-7-18)17-9-12-30-13-10-17/h4-8,11,17H,9-10,12-15H2,1-3H3,(H,24,25,26,27).
What are the key properties of trimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane?
trimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane has a molecular weight of 471.66 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane is sourced from PubChem (CID 140751872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).