1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine

C16H21N3O3S — CID 131934981

IUPAC1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine
SMILESCc1ccc(OC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1
InChIInChI=1S/C16H21N3O3S/c1-13-3-5-14(6-4-13)22-15-7-9-19(10-8-15)23(20,21)16-11-18(2)12-17-16/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyOOMBVEWLQGGDAM-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.96
Rot. Bonds4

About 1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine

1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine (PubChem CID 131934981) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine
PubChem CID131934981
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine
SMILESCc1ccc(OC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1
InChIInChI=1S/C16H21N3O3S/c1-13-3-5-14(6-4-13)22-15-7-9-19(10-8-15)23(20,21)16-11-18(2)12-17-16/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyOOMBVEWLQGGDAM-UHFFFAOYSA-N
XLogP1.96
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80673248
4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 71809049
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53085439
3-methyl-5-[4-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxyphenyl]-1,2,4-oxadiazole
CID 91905427
4-(2-ethoxyethoxy)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 91907796
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine
CID 72548861
(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine
CID 95715901
1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20958623
1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 62916956
1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 66934082
N-(4-ethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085419

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine (CID 131934981) is 1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine is Cc1ccc(OC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine?
The InChIKey is OOMBVEWLQGGDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-13-3-5-14(6-4-13)22-15-7-9-19(10-8-15)23(20,21)16-11-18(2)12-17-16/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine?
1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine has a molecular weight of 335.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine is sourced from PubChem (CID 131934981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).