4-[[3-(cyclohexylmethyl)-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]morpholine

C18H31N3O4S — CID 29085530

IUPAC4-[[3-(cyclohexylmethyl)-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]morpholine
SMILESCOCCS(=O)(=O)c1ncc(CN2CCOCC2)n1CC1CCCCC1
InChIInChI=1S/C18H31N3O4S/c1-24-11-12-26(22,23)18-19-13-17(15-20-7-9-25-10-8-20)21(18)14-16-5-3-2-4-6-16/h13,16H,2-12,14-15H2,1H3
InChIKeyXTQFJALJYNEFBM-UHFFFAOYSA-N
MW385.53 g/mol
LogP1.72
Rot. Bonds8

About 4-[[3-(cyclohexylmethyl)-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]morpholine

4-[[3-(cyclohexylmethyl)-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]morpholine (PubChem CID 29085530) has the molecular formula C18H31N3O4S and a molecular weight of 385.53 g/mol. Its IUPAC name is 4-[[3-(cyclohexylmethyl)-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-(cyclohexylmethyl)-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]morpholine
PubChem CID29085530
Molecular FormulaC18H31N3O4S
Molecular Weight385.53 g/mol
Exact Mass385.20
IUPAC Name4-[[3-(cyclohexylmethyl)-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]morpholine
SMILESCOCCS(=O)(=O)c1ncc(CN2CCOCC2)n1CC1CCCCC1
InChIInChI=1S/C18H31N3O4S/c1-24-11-12-26(22,23)18-19-13-17(15-20-7-9-25-10-8-20)21(18)14-16-5-3-2-4-6-16/h13,16H,2-12,14-15H2,1H3
InChIKeyXTQFJALJYNEFBM-UHFFFAOYSA-N
XLogP1.72
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}morpholine
CID 45185543
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-{[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
Sdccgsbi-0117255.P001
CID 42529828
4-{[2-[(2,2-dimethylpropyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-dimethylpiperazine
CID 45173309

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclohexylmethyl)-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[3-(cyclohexylmethyl)-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]morpholine (CID 29085530) is 4-[[3-(cyclohexylmethyl)-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[3-(cyclohexylmethyl)-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[3-(cyclohexylmethyl)-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]morpholine is COCCS(=O)(=O)c1ncc(CN2CCOCC2)n1CC1CCCCC1.
What is the InChIKey of 4-[[3-(cyclohexylmethyl)-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]morpholine?
The InChIKey is XTQFJALJYNEFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4S/c1-24-11-12-26(22,23)18-19-13-17(15-20-7-9-25-10-8-20)21(18)14-16-5-3-2-4-6-16/h13,16H,2-12,14-15H2,1H3.
What are the key properties of 4-[[3-(cyclohexylmethyl)-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]morpholine?
4-[[3-(cyclohexylmethyl)-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]morpholine has a molecular weight of 385.53 g/mol, XLogP of 1.72, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclohexylmethyl)-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]morpholine is sourced from PubChem (CID 29085530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).