N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylethanamine

C12H23N3O3S — CID 42289096

IUPACN-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1cnc(S(=O)(=O)CC)n1CCOC
InChIInChI=1S/C12H23N3O3S/c1-5-14(3)10-11-9-13-12(19(16,17)6-2)15(11)7-8-18-4/h9H,5-8,10H2,1-4H3
InChIKeyJITDVGYSKAYKQZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.77
Rot. Bonds8

About N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylethanamine

N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylethanamine (PubChem CID 42289096) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylethanamine
PubChem CID42289096
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1cnc(S(=O)(=O)CC)n1CCOC
InChIInChI=1S/C12H23N3O3S/c1-5-14(3)10-11-9-13-12(19(16,17)6-2)15(11)7-8-18-4/h9H,5-8,10H2,1-4H3
InChIKeyJITDVGYSKAYKQZ-UHFFFAOYSA-N
XLogP0.77
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylethanamine?
The IUPAC name of N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylethanamine (CID 42289096) is N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylethanamine.
What is the SMILES notation for N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylethanamine?
The canonical SMILES for N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylethanamine is CCN(C)Cc1cnc(S(=O)(=O)CC)n1CCOC.
What is the InChIKey of N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylethanamine?
The InChIKey is JITDVGYSKAYKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-5-14(3)10-11-9-13-12(19(16,17)6-2)15(11)7-8-18-4/h9H,5-8,10H2,1-4H3.
What are the key properties of N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylethanamine?
N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylethanamine has a molecular weight of 289.40 g/mol, XLogP of 0.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 42289096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).