1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidine

C18H31N3O3S — CID 45225709

IUPAC1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidine
SMILESCOC1CCCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)C1
InChIInChI=1S/C18H31N3O3S/c1-24-17-9-6-10-20(14-17)13-16-11-19-18(25(2,22)23)21(16)12-15-7-4-3-5-8-15/h11,15,17H,3-10,12-14H2,1-2H3
InChIKeyMDYVZROOEIUKOG-UHFFFAOYSA-N
MW369.53 g/mol
LogP2.48
Rot. Bonds6

About 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidine

1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidine (PubChem CID 45225709) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidine.

Molecular Properties

Compound Name1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidine
PubChem CID45225709
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC Name1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidine
SMILESCOC1CCCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)C1
InChIInChI=1S/C18H31N3O3S/c1-24-17-9-6-10-20(14-17)13-16-11-19-18(25(2,22)23)21(16)12-15-7-4-3-5-8-15/h11,15,17H,3-10,12-14H2,1-2H3
InChIKeyMDYVZROOEIUKOG-UHFFFAOYSA-N
XLogP2.48
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
2-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}octahydropyrrolo[1,2-a]pyrazine
CID 45183265
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-{[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
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639
1-(cyclohexylmethyl)-2-(methylsulfonyl)-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 25273953
(2R*,6S*)-4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2,6-dimethylmorpholine
CID 25286851
N-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(4-morpholinyl)ethanamine
CID 28392374
1-cyclohexyl-4-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}piperazine
CID 28393918
(2R*,6S*)-4-{[1-(3-methoxypropyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-2,6-dimethylmorpholine
CID 28738563

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidine?
The IUPAC name of 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidine (CID 45225709) is 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidine.
What is the SMILES notation for 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidine?
The canonical SMILES for 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidine is COC1CCCN(Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)C1.
What is the InChIKey of 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidine?
The InChIKey is MDYVZROOEIUKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-24-17-9-6-10-20(14-17)13-16-11-19-18(25(2,22)23)21(16)12-15-7-4-3-5-8-15/h11,15,17H,3-10,12-14H2,1-2H3.
What are the key properties of 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidine?
1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidine has a molecular weight of 369.53 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-3-methoxypiperidine is sourced from PubChem (CID 45225709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).