3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine

C17H23N3O2S — CID 154796219

IUPAC3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine
SMILESCc1cccc(S(=O)(=O)N2CCCC(Cc3nccn3C)C2)c1
InChIInChI=1S/C17H23N3O2S/c1-14-5-3-7-16(11-14)23(21,22)20-9-4-6-15(13-20)12-17-18-8-10-19(17)2/h3,5,7-8,10-11,15H,4,6,9,12-13H2,1-2H3
InChIKeyYTOOHZGDVJDZLC-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.37
Rot. Bonds4

About 3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine

3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine (PubChem CID 154796219) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine
PubChem CID154796219
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine
SMILESCc1cccc(S(=O)(=O)N2CCCC(Cc3nccn3C)C2)c1
InChIInChI=1S/C17H23N3O2S/c1-14-5-3-7-16(11-14)23(21,22)20-9-4-6-15(13-20)12-17-18-8-10-19(17)2/h3,5,7-8,10-11,15H,4,6,9,12-13H2,1-2H3
InChIKeyYTOOHZGDVJDZLC-UHFFFAOYSA-N
XLogP2.37
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80675902
N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine
CID 63241431
3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 110418161
1-(benzenesulfonyl)-3-[(3-methylphenoxy)methyl]piperidine
CID 110410609
1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine
CID 91911690
(3S)-1-(3-methylphenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97199633
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
2-[1-(3-methylphenyl)sulfonylpiperidin-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 46397211
1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132771
3-(2-bromoethyl)-1-(3-methylphenyl)sulfonylpyrrolidine
CID 114801831
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
3-isocyanato-1-(3-methylphenyl)sulfonylpiperidine
CID 24699747

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine?
The IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine (CID 154796219) is 3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine is Cc1cccc(S(=O)(=O)N2CCCC(Cc3nccn3C)C2)c1.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine?
The InChIKey is YTOOHZGDVJDZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-14-5-3-7-16(11-14)23(21,22)20-9-4-6-15(13-20)12-17-18-8-10-19(17)2/h3,5,7-8,10-11,15H,4,6,9,12-13H2,1-2H3.
What are the key properties of 3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine?
3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine has a molecular weight of 333.46 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 154796219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).