4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine

C18H25N3O2S — CID 90493883

IUPAC4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(Cn3ccnc3)CC2)c(C)c1
InChIInChI=1S/C18H25N3O2S/c1-14-10-15(2)18(16(3)11-14)24(22,23)21-7-4-17(5-8-21)12-20-9-6-19-13-20/h6,9-11,13,17H,4-5,7-8,12H2,1-3H3
InChIKeyHCLKOBJCZUWGDF-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.91
Rot. Bonds4

About 4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine

4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine (PubChem CID 90493883) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
PubChem CID90493883
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(Cn3ccnc3)CC2)c(C)c1
InChIInChI=1S/C18H25N3O2S/c1-14-10-15(2)18(16(3)11-14)24(22,23)21-7-4-17(5-8-21)12-20-9-6-19-13-20/h6,9-11,13,17H,4-5,7-8,12H2,1-3H3
InChIKeyHCLKOBJCZUWGDF-UHFFFAOYSA-N
XLogP2.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine (CID 90493883) is 4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine is Cc1cc(C)c(S(=O)(=O)N2CCC(Cn3ccnc3)CC2)c(C)c1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
The InChIKey is HCLKOBJCZUWGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-14-10-15(2)18(16(3)11-14)24(22,23)21-7-4-17(5-8-21)12-20-9-6-19-13-20/h6,9-11,13,17H,4-5,7-8,12H2,1-3H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine?
4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine has a molecular weight of 347.48 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 90493883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).