1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine

C18H25N3O2S — CID 110725902

IUPAC1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)cc1
InChIInChI=1S/C18H25N3O2S/c1-18(2,3)15-4-6-16(7-5-15)24(22,23)21-12-8-14(9-13-21)17-19-10-11-20-17/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,19,20)
InChIKeyMAYLHCASMUHSLJ-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.28
Rot. Bonds3

About 1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine

1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine (PubChem CID 110725902) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine
PubChem CID110725902
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)cc1
InChIInChI=1S/C18H25N3O2S/c1-18(2,3)15-4-6-16(7-5-15)24(22,23)21-12-8-14(9-13-21)17-19-10-11-20-17/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,19,20)
InChIKeyMAYLHCASMUHSLJ-UHFFFAOYSA-N
XLogP3.28
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylpyridine
CID 68554867
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylbenzamide
CID 122152574
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine
CID 110725900
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589889
3-(4-tert-butylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989478
1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974952
3-(4-tert-butylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 132966939
1-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine
CID 110725891
4-(1H-imidazol-2-yl)-1-[(2-methylphenyl)methylsulfonyl]piperidine
CID 110725887
1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine
CID 110725892
1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 1485734

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine (CID 110725902) is 1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine is CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine?
The InChIKey is MAYLHCASMUHSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-18(2,3)15-4-6-16(7-5-15)24(22,23)21-12-8-14(9-13-21)17-19-10-11-20-17/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,19,20).
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine?
1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine has a molecular weight of 347.48 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 110725902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).