1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine

C20H35N3O3S — CID 45199569

IUPAC1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine
SMILESCOCCn1c(CN2CCCCC2C)cnc1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C20H35N3O3S/c1-17-8-6-7-11-22(17)15-19-14-21-20(23(19)12-13-26-2)27(24,25)16-18-9-4-3-5-10-18/h14,17-18H,3-13,15-16H2,1-2H3
InChIKeyIGKRCRYKYRIWNE-UHFFFAOYSA-N
MW397.59 g/mol
LogP3.26
Rot. Bonds8

About 1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine

1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine (PubChem CID 45199569) has the molecular formula C20H35N3O3S and a molecular weight of 397.59 g/mol. Its IUPAC name is 1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine
PubChem CID45199569
Molecular FormulaC20H35N3O3S
Molecular Weight397.59 g/mol
Exact Mass397.24
IUPAC Name1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine
SMILESCOCCn1c(CN2CCCCC2C)cnc1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C20H35N3O3S/c1-17-8-6-7-11-22(17)15-19-14-21-20(23(19)12-13-26-2)27(24,25)16-18-9-4-3-5-10-18/h14,17-18H,3-13,15-16H2,1-2H3
InChIKeyIGKRCRYKYRIWNE-UHFFFAOYSA-N
XLogP3.26
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine 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

N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}isoxazolidine
CID 42594408
2-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}octahydropyrrolo[1,2-a]pyrazine
CID 45183265
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperazine
CID 45207185
4-methyl-1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}piperidine
CID 45210739
(1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)methanol
CID 45216013
1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45220137
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperidine
CID 45239287
N-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-yl-2-propen-1-amine
CID 28389274
1-[(1-methyl-1H-imidazol-5-yl)methyl]-3-[(methylsulfonyl)methyl]piperidine
CID 77080723
Sdccgsbi-0114825.P001
CID 28394144

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine?
The IUPAC name of 1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine (CID 45199569) is 1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine.
What is the SMILES notation for 1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine?
The canonical SMILES for 1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine is COCCn1c(CN2CCCCC2C)cnc1S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine?
The InChIKey is IGKRCRYKYRIWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3S/c1-17-8-6-7-11-22(17)15-19-14-21-20(23(19)12-13-26-2)27(24,25)16-18-9-4-3-5-10-18/h14,17-18H,3-13,15-16H2,1-2H3.
What are the key properties of 1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine?
1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine has a molecular weight of 397.59 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methylpiperidine is sourced from PubChem (CID 45199569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).