N-ethyl-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine

C18H33N3O3S — CID 42288893

IUPACN-ethyl-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1cnc(S(=O)(=O)CCC(C)C)n1CCOC
InChIInChI=1S/C18H33N3O3S/c1-7-20(13-16(4)5)14-17-12-19-18(21(17)9-10-24-6)25(22,23)11-8-15(2)3/h12,15H,4,7-11,13-14H2,1-3,5-6H3
InChIKeyNOWPCEQCRDAHNN-UHFFFAOYSA-N
MW371.55 g/mol
LogP2.75
Rot. Bonds12

About N-ethyl-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine

N-ethyl-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine (PubChem CID 42288893) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is N-ethyl-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine
PubChem CID42288893
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC NameN-ethyl-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1cnc(S(=O)(=O)CCC(C)C)n1CCOC
InChIInChI=1S/C18H33N3O3S/c1-7-20(13-16(4)5)14-17-12-19-18(21(17)9-10-24-6)25(22,23)11-8-15(2)3/h12,15H,4,7-11,13-14H2,1-3,5-6H3
InChIKeyNOWPCEQCRDAHNN-UHFFFAOYSA-N
XLogP2.75
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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
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-[(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
[2-(isobutylsulfonyl)-1-(3-methylbutyl)-1H-imidazol-5-yl]methanol
CID 42562405
N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}propane-2-sulfonamide
CID 131937458
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-ethyl-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine (CID 42288893) is N-ethyl-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine is C=C(C)CN(CC)Cc1cnc(S(=O)(=O)CCC(C)C)n1CCOC.
What is the InChIKey of N-ethyl-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine?
The InChIKey is NOWPCEQCRDAHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-7-20(13-16(4)5)14-17-12-19-18(21(17)9-10-24-6)25(22,23)11-8-15(2)3/h12,15H,4,7-11,13-14H2,1-3,5-6H3.
What are the key properties of N-ethyl-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine?
N-ethyl-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine has a molecular weight of 371.55 g/mol, XLogP of 2.75, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 42288893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).