bis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide

C86H130N8O11S3 — CID 158062927

IUPACbis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide
SMILESCC(C)(C)c1ccc(C2(O)CCC2)nc1.CC(C)(C)c1ccc(C2(O)COC2)cc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)nc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)nc1.CC(C)(C)c1ccc(CCS(N)(=O)=O)nc1.CC(C)(C)c1ccc(N2CC(O)C2)cc1.CC(C)(C)c1ccc(N2CC(O)C2)nc1
InChIInChI=1S/2C13H19NO.C13H18O2.C12H18N2O.2C12H19NO2S.C11H18N2O2S/c1-12(2,3)10-5-6-11(14-9-10)13(15)7-4-8-13;1-13(2,3)10-4-6-11(7-5-10)14-8-12(15)9-14;1-12(2,3)10-4-6-11(7-5-10)13(14)8-15-9-13;1-12(2,3)9-4-5-11(13-6-9)14-7-10(15)8-14;2*1-12(2,3)10-5-6-11(13-9-10)7-8-16(4,14)15;1-11(2,3)9-4-5-10(13-8-9)6-7-16(12,14)15/h5-6,9,15H,4,7-8H2,1-3H3;4-7,12,15H,8-9H2,1-3H3;4-7,14H,8-9H2,1-3H3;4-6,10,15H,7-8H2,1-3H3;2*5-6,9H,7-8H2,1-4H3;4-5,8H,6-7H2,1-3H3,(H2,12,14,15)
InChIKeyFKWGQEALIVKKDE-UHFFFAOYSA-N
MW1548.23 g/mol
LogP13.82
Rot. Bonds13

About bis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide

bis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide (PubChem CID 158062927) has the molecular formula C86H130N8O11S3 and a molecular weight of 1548.23 g/mol. Its IUPAC name is bis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Namebis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide
PubChem CID158062927
Molecular FormulaC86H130N8O11S3
Molecular Weight1548.23 g/mol
Exact Mass1546.90
IUPAC Namebis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide
SMILESCC(C)(C)c1ccc(C2(O)CCC2)nc1.CC(C)(C)c1ccc(C2(O)COC2)cc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)nc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)nc1.CC(C)(C)c1ccc(CCS(N)(=O)=O)nc1.CC(C)(C)c1ccc(N2CC(O)C2)cc1.CC(C)(C)c1ccc(N2CC(O)C2)nc1
InChIInChI=1S/2C13H19NO.C13H18O2.C12H18N2O.2C12H19NO2S.C11H18N2O2S/c1-12(2,3)10-5-6-11(14-9-10)13(15)7-4-8-13;1-13(2,3)10-4-6-11(7-5-10)14-8-12(15)9-14;1-12(2,3)10-4-6-11(7-5-10)13(14)8-15-9-13;1-12(2,3)9-4-5-11(13-6-9)14-7-10(15)8-14;2*1-12(2,3)10-5-6-11(13-9-10)7-8-16(4,14)15;1-11(2,3)9-4-5-10(13-8-9)6-7-16(12,14)15/h5-6,9,15H,4,7-8H2,1-3H3;4-7,12,15H,8-9H2,1-3H3;4-7,14H,8-9H2,1-3H3;4-6,10,15H,7-8H2,1-3H3;2*5-6,9H,7-8H2,1-4H3;4-5,8H,6-7H2,1-3H3,(H2,12,14,15)
InChIKeyFKWGQEALIVKKDE-UHFFFAOYSA-N
XLogP13.82
TPSA289.52 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001548.23
LogP ≤ 513.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze bis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide with MolForge

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Related Compounds

Bis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol
CID 157717186
1-(2-Methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 158162891
1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 161291378

Frequently Asked Questions

What is the IUPAC name of bis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide?
The IUPAC name of bis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide (CID 158062927) is bis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide.
What is the SMILES notation for bis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide?
The canonical SMILES for bis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide is CC(C)(C)c1ccc(C2(O)CCC2)nc1.CC(C)(C)c1ccc(C2(O)COC2)cc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)nc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)nc1.CC(C)(C)c1ccc(CCS(N)(=O)=O)nc1.CC(C)(C)c1ccc(N2CC(O)C2)cc1.CC(C)(C)c1ccc(N2CC(O)C2)nc1.
What is the InChIKey of bis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide?
The InChIKey is FKWGQEALIVKKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H19NO.C13H18O2.C12H18N2O.2C12H19NO2S.C11H18N2O2S/c1-12(2,3)10-5-6-11(14-9-10)13(15)7-4-8-13;1-13(2,3)10-4-6-11(7-5-10)14-8-12(15)9-14;1-12(2,3)10-4-6-11(7-5-10)13(14)8-15-9-13;1-12(2,3)9-4-5-11(13-6-9)14-7-10(15)8-14;2*1-12(2,3)10-5-6-11(13-9-10)7-8-16(4,14)15;1-11(2,3)9-4-5-10(13-8-9)6-7-16(12,14)15/h5-6,9,15H,4,7-8H2,1-3H3;4-7,12,15H,8-9H2,1-3H3;4-7,14H,8-9H2,1-3H3;4-6,10,15H,7-8H2,1-3H3;2*5-6,9H,7-8H2,1-4H3;4-5,8H,6-7H2,1-3H3,(H2,12,14,15).
What are the key properties of bis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide?
bis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide has a molecular weight of 1548.23 g/mol, XLogP of 13.82, 13 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-tert-butyl-2-(2-methylsulfonylethyl)pyridine);1-(4-tert-butylphenyl)azetidin-3-ol;3-(4-tert-butylphenyl)oxetan-3-ol;1-(5-tert-butyl-2-pyridinyl)azetidin-3-ol;1-(5-tert-butyl-2-pyridinyl)cyclobutan-1-ol;2-(5-tert-butyl-2-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 158062927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).