1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N,N-dimethylmethanamine

C15H21N3O2S — CID 42290131

IUPAC1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N,N-dimethylmethanamine
SMILESCCS(=O)(=O)c1ncc(CN(C)C)n1Cc1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-4-21(19,20)15-16-10-14(12-17(2)3)18(15)11-13-8-6-5-7-9-13/h5-10H,4,11-12H2,1-3H3
InChIKeyXQFVHZZECIJZCW-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.79
Rot. Bonds6

About 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N,N-dimethylmethanamine

1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N,N-dimethylmethanamine (PubChem CID 42290131) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N,N-dimethylmethanamine
PubChem CID42290131
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N,N-dimethylmethanamine
SMILESCCS(=O)(=O)c1ncc(CN(C)C)n1Cc1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-4-21(19,20)15-16-10-14(12-17(2)3)18(15)11-13-8-6-5-7-9-13/h5-10H,4,11-12H2,1-3H3
InChIKeyXQFVHZZECIJZCW-UHFFFAOYSA-N
XLogP1.79
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N,N-dimethylmethanamine (CID 42290131) is 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N,N-dimethylmethanamine is CCS(=O)(=O)c1ncc(CN(C)C)n1Cc1ccccc1.
What is the InChIKey of 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N,N-dimethylmethanamine?
The InChIKey is XQFVHZZECIJZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-21(19,20)15-16-10-14(12-17(2)3)18(15)11-13-8-6-5-7-9-13/h5-10H,4,11-12H2,1-3H3.
What are the key properties of 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N,N-dimethylmethanamine?
1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N,N-dimethylmethanamine has a molecular weight of 307.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 42290131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).