3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine

C14H19N3O3S — CID 62475459

IUPAC3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCOCCC(N)c1ncc(-c2ccc(S(C)(=O)=O)cc2)[nH]1
InChIInChI=1S/C14H19N3O3S/c1-20-8-7-12(15)14-16-9-13(17-14)10-3-5-11(6-4-10)21(2,18)19/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyDTIMIVORQIJDTQ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.52
Rot. Bonds6

About 3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine

3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 62475459) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID62475459
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCOCCC(N)c1ncc(-c2ccc(S(C)(=O)=O)cc2)[nH]1
InChIInChI=1S/C14H19N3O3S/c1-20-8-7-12(15)14-16-9-13(17-14)10-3-5-11(6-4-10)21(2,18)19/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyDTIMIVORQIJDTQ-UHFFFAOYSA-N
XLogP1.52
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 43650551
1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62477508
1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62476987
1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62476983
1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62476310
(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 67213867
1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine
CID 43651719
N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60853947
N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 60841056
(1R)-3-phenyl-1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]propan-1-amine;hydrochloride
CID 159178971
3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 43651267
1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine
CID 43651692

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine (CID 62475459) is 3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine is COCCC(N)c1ncc(-c2ccc(S(C)(=O)=O)cc2)[nH]1.
What is the InChIKey of 3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is DTIMIVORQIJDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-20-8-7-12(15)14-16-9-13(17-14)10-3-5-11(6-4-10)21(2,18)19/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine?
3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 309.39 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 62475459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).