benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate

C24H35N3O5SSi — CID 155632593

IUPACbenzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NS(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)nc1
InChIInChI=1S/C24H35N3O5SSi/c1-24(2,3)34(4,5)32-20-11-12-22(25-17-20)26-33(29,30)21-13-15-27(16-14-21)23(28)31-18-19-9-7-6-8-10-19/h6-12,17,21H,13-16,18H2,1-5H3,(H,25,26)
InChIKeyIFKLVEJZLQXMFL-UHFFFAOYSA-N
MW505.71 g/mol
LogP5.01
Rot. Bonds7

About benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate

benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate (PubChem CID 155632593) has the molecular formula C24H35N3O5SSi and a molecular weight of 505.71 g/mol. Its IUPAC name is benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate
PubChem CID155632593
Molecular FormulaC24H35N3O5SSi
Molecular Weight505.71 g/mol
Exact Mass505.21
IUPAC Namebenzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NS(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)nc1
InChIInChI=1S/C24H35N3O5SSi/c1-24(2,3)34(4,5)32-20-11-12-22(25-17-20)26-33(29,30)21-13-15-27(16-14-21)23(28)31-18-19-9-7-6-8-10-19/h6-12,17,21H,13-16,18H2,1-5H3,(H,25,26)
InChIKeyIFKLVEJZLQXMFL-UHFFFAOYSA-N
XLogP5.01
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.71
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate
CID 71744038
2-methyl-2-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)ethylsulfonyl]propanoic acid
CID 164946185
benzyl 4-[[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]sulfamoyl]piperidine-1-carboxylate
CID 59353076
benzyl 4-(hydroxymethyl)piperidine-1-carboxylate;methanesulfonic acid
CID 86749923
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-benzylsulfanylsulfonylpiperidine-1-carboxylate
CID 24741051
benzyl (3R)-3-[(5-ethylthiophen-2-yl)methylsulfamoyl]pyrrolidine-1-carboxylate
CID 124736213
benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate
CID 156613475
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate (CID 155632593) is benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate is CC(C)(C)[Si](C)(C)Oc1ccc(NS(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)nc1.
What is the InChIKey of benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate?
The InChIKey is IFKLVEJZLQXMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5SSi/c1-24(2,3)34(4,5)32-20-11-12-22(25-17-20)26-33(29,30)21-13-15-27(16-14-21)23(28)31-18-19-9-7-6-8-10-19/h6-12,17,21H,13-16,18H2,1-5H3,(H,25,26).
What are the key properties of benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate?
benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate has a molecular weight of 505.71 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 155632593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).