N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine

C14H19N3O2S — CID 61315754

IUPACN-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(S(C)(=O)=O)cc1)c1nccn1C
InChIInChI=1S/C14H19N3O2S/c1-4-15-13(14-16-9-10-17(14)2)11-5-7-12(8-6-11)20(3,18)19/h5-10,13,15H,4H2,1-3H3
InChIKeyKEBGNLUKXXIWCT-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.52
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine

N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine (PubChem CID 61315754) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine
PubChem CID61315754
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(S(C)(=O)=O)cc1)c1nccn1C
InChIInChI=1S/C14H19N3O2S/c1-4-15-13(14-16-9-10-17(14)2)11-5-7-12(8-6-11)20(3,18)19/h5-10,13,15H,4H2,1-3H3
InChIKeyKEBGNLUKXXIWCT-UHFFFAOYSA-N
XLogP1.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 61315945
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine
CID 43489121
N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 114022999
N-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 43488878
N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315383
N-[(1-methylimidazol-2-yl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
CID 63001655
4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316520
2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole
CID 31080259
2-[(4-chlorophenyl)-(diethylsulfamoylamino)methyl]-1-methylimidazole
CID 46511184
1-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-N,4-N-diethylbenzene-1,4-disulfonamide
CID 24541093

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine (CID 61315754) is N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine is CCNC(c1ccc(S(C)(=O)=O)cc1)c1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine?
The InChIKey is KEBGNLUKXXIWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-15-13(14-16-9-10-17(14)2)11-5-7-12(8-6-11)20(3,18)19/h5-10,13,15H,4H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine?
N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine has a molecular weight of 293.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine is sourced from PubChem (CID 61315754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).