1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine

C18H31N3O2S — CID 90494392

IUPAC1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
SMILESCC(C)c1nccn1CC1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H31N3O2S/c1-15(2)18-19-10-13-20(18)14-16-8-11-21(12-9-16)24(22,23)17-6-4-3-5-7-17/h10,13,15-17H,3-9,11-12,14H2,1-2H3
InChIKeyBVFDIXWQORXMKE-UHFFFAOYSA-N
MW353.53 g/mol
LogP3.38
Rot. Bonds5

About 1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine

1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine (PubChem CID 90494392) has the molecular formula C18H31N3O2S and a molecular weight of 353.53 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
PubChem CID90494392
Molecular FormulaC18H31N3O2S
Molecular Weight353.53 g/mol
Exact Mass353.21
IUPAC Name1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
SMILESCC(C)c1nccn1CC1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H31N3O2S/c1-15(2)18-19-10-13-20(18)14-16-8-11-21(12-9-16)24(22,23)17-6-4-3-5-7-17/h10,13,15-17H,3-9,11-12,14H2,1-2H3
InChIKeyBVFDIXWQORXMKE-UHFFFAOYSA-N
XLogP3.38
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.53
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]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

1-[[1-(1,2-Dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine
CID 50848046
1-(Ethanesulfonyl)-3-{[5-methyl-1-(propan-2-YL)-1H-imidazol-2-YL]methyl}piperidine
CID 91911696
4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]-1-(propylsulfonyl)piperidine
CID 91923576
3-[(5-Methyl-1-propyl-1H-imidazol-2-YL)methyl]-1-(propane-1-sulfonyl)piperidine
CID 124052992
4-[(5-Methyl-1-propylimidazol-2-yl)methyl]-1-propylsulfonylpiperidine
CID 124053130
3-(1-Tetradecyl-3-imidazolio)propanesulfonate
CID 102052561
3-[(1-Methylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine
CID 71847499
1-(2-Methyl-3-methylsulfonylpropyl)-2-propylimidazole
CID 75433231
2-[2-(2-Propylimidazol-1-yl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 84590517
(3R)-3-[(2-cyclopentylimidazol-1-yl)methyl]-1-methylsulfonylpiperidine
CID 95203842
1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide
CID 125435168
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]butane-1-sulfonamide
CID 125437589

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
The IUPAC name of 1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine (CID 90494392) is 1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine is CC(C)c1nccn1CC1CCN(S(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
The InChIKey is BVFDIXWQORXMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2S/c1-15(2)18-19-10-13-20(18)14-16-8-11-21(12-9-16)24(22,23)17-6-4-3-5-7-17/h10,13,15-17H,3-9,11-12,14H2,1-2H3.
What are the key properties of 1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine has a molecular weight of 353.53 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 90494392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).