3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine

C14H19N3O2S — CID 82558131

IUPAC3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine
SMILESCS(=O)(=O)c1ccccc1Cc1nccn1CCCN
InChIInChI=1S/C14H19N3O2S/c1-20(18,19)13-6-3-2-5-12(13)11-14-16-8-10-17(14)9-4-7-15/h2-3,5-6,8,10H,4,7,9,11,15H2,1H3
InChIKeyQYJOWXSCEBWLNJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.23
Rot. Bonds6

About 3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine

3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine (PubChem CID 82558131) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine
PubChem CID82558131
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine
SMILESCS(=O)(=O)c1ccccc1Cc1nccn1CCCN
InChIInChI=1S/C14H19N3O2S/c1-20(18,19)13-6-3-2-5-12(13)11-14-16-8-10-17(14)9-4-7-15/h2-3,5-6,8,10H,4,7,9,11,15H2,1H3
InChIKeyQYJOWXSCEBWLNJ-UHFFFAOYSA-N
XLogP1.23
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide
CID 82558127
3-[[1-[(2-methylsulfonylphenyl)methyl]imidazol-2-yl]methyl]aniline
CID 82558722
3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 57082680
2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957712
2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline
CID 82558780
2-(2-methylsulfonylphenyl)ethanamine;hydrochloride
CID 86222883
3-[2-[(3-nitrophenyl)methyl]imidazol-1-yl]propan-1-amine
CID 82558751
4-[[1-(4-aminobutyl)imidazol-2-yl]methyl]aniline
CID 82558650
3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine
CID 82558553
3-[2-[2-(dimethylamino)ethyl]imidazol-1-yl]propan-1-amine
CID 82557807
2-(4-bromophenyl)-1-[(2-methylsulfonylphenyl)methyl]imidazole
CID 82562212
4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]butan-1-amine
CID 82558169

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine?
The IUPAC name of 3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine (CID 82558131) is 3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine is CS(=O)(=O)c1ccccc1Cc1nccn1CCCN.
What is the InChIKey of 3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine?
The InChIKey is QYJOWXSCEBWLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-20(18,19)13-6-3-2-5-12(13)11-14-16-8-10-17(14)9-4-7-15/h2-3,5-6,8,10H,4,7,9,11,15H2,1H3.
What are the key properties of 3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine?
3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine has a molecular weight of 293.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 82558131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).