2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine

C11H21N3O3S — CID 66150173

IUPAC2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cncn1C(C)CS(C)(=O)=O
InChIInChI=1S/C11H21N3O3S/c1-10(8-18(3,15)16)14-9-13-7-11(14)6-12-4-5-17-2/h7,9-10,12H,4-6,8H2,1-3H3
InChIKeyAAMMRAUMGFPBJB-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.22
Rot. Bonds8

About 2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine

2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine (PubChem CID 66150173) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine
PubChem CID66150173
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cncn1C(C)CS(C)(=O)=O
InChIInChI=1S/C11H21N3O3S/c1-10(8-18(3,15)16)14-9-13-7-11(14)6-12-4-5-17-2/h7,9-10,12H,4-6,8H2,1-3H3
InChIKeyAAMMRAUMGFPBJB-UHFFFAOYSA-N
XLogP0.22
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-butan-2-ylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 66148790
2-methoxy-N-[[3-(4-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148185
2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148404
2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66146120
5-(chloromethyl)-1-(1-methylsulfonylpropan-2-yl)imidazole
CID 66149591
[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine
CID 66149963
2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66146731
2-methoxy-N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 113450980
N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66147531
N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66148416
2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146107
N-ethyl-N-[3-[(3-propan-2-ylimidazol-4-yl)methylamino]propyl]methanesulfonamide
CID 66164749

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine (CID 66150173) is 2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine is COCCNCc1cncn1C(C)CS(C)(=O)=O.
What is the InChIKey of 2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is AAMMRAUMGFPBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-10(8-18(3,15)16)14-9-13-7-11(14)6-12-4-5-17-2/h7,9-10,12H,4-6,8H2,1-3H3.
What are the key properties of 2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 275.37 g/mol, XLogP of 0.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66150173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).