N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-ethylethanamine

C18H33N3O3S — CID 42197608

IUPACN-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC
InChIInChI=1S/C18H33N3O3S/c1-4-20(5-2)14-17-13-19-18(21(17)11-12-24-3)25(22,23)15-16-9-7-6-8-10-16/h13,16H,4-12,14-15H2,1-3H3
InChIKeyKEWQAFZXBNAWMY-UHFFFAOYSA-N
MW371.55 g/mol
LogP2.73
Rot. Bonds10

About N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-ethylethanamine

N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-ethylethanamine (PubChem CID 42197608) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-ethylethanamine
PubChem CID42197608
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC NameN-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC
InChIInChI=1S/C18H33N3O3S/c1-4-20(5-2)14-17-13-19-18(21(17)11-12-24-3)25(22,23)15-16-9-7-6-8-10-16/h13,16H,4-12,14-15H2,1-3H3
InChIKeyKEWQAFZXBNAWMY-UHFFFAOYSA-N
XLogP2.73
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 30852802
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-methyl-1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}piperidine
CID 45210739
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
({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)methyl[(1-methyl-1H-imidazol-2-yl)methyl]amine
CID 25287503
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 N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-ethylethanamine (CID 42197608) is N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-ethylethanamine is CCN(CC)Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC.
What is the InChIKey of N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-ethylethanamine?
The InChIKey is KEWQAFZXBNAWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-4-20(5-2)14-17-13-19-18(21(17)11-12-24-3)25(22,23)15-16-9-7-6-8-10-16/h13,16H,4-12,14-15H2,1-3H3.
What are the key properties of N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-ethylethanamine?
N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-ethylethanamine has a molecular weight of 371.55 g/mol, XLogP of 2.73, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 42197608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).