N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine

C12H17N3O3S — CID 54931888

IUPACN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
SMILESCn1ccnc1C(NCCS(C)(=O)=O)c1ccco1
InChIInChI=1S/C12H17N3O3S/c1-15-7-5-14-12(15)11(10-4-3-8-18-10)13-6-9-19(2,16)17/h3-5,7-8,11,13H,6,9H2,1-2H3
InChIKeyOGPBYIRIRNKSDX-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.74
Rot. Bonds6

About N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine (PubChem CID 54931888) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
PubChem CID54931888
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
SMILESCn1ccnc1C(NCCS(C)(=O)=O)c1ccco1
InChIInChI=1S/C12H17N3O3S/c1-15-7-5-14-12(15)11(10-4-3-8-18-10)13-6-9-19(2,16)17/h3-5,7-8,11,13H,6,9H2,1-2H3
InChIKeyOGPBYIRIRNKSDX-UHFFFAOYSA-N
XLogP0.74
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020764
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 43754710
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284438
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427266
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine
CID 82942538
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43770887
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine
CID 60913950
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61044445
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-propylpropanamide
CID 43781268

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine?
The IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine (CID 54931888) is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine.
What is the SMILES notation for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine?
The canonical SMILES for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine is Cn1ccnc1C(NCCS(C)(=O)=O)c1ccco1.
What is the InChIKey of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine?
The InChIKey is OGPBYIRIRNKSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-15-7-5-14-12(15)11(10-4-3-8-18-10)13-6-9-19(2,16)17/h3-5,7-8,11,13H,6,9H2,1-2H3.
What are the key properties of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine?
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine has a molecular weight of 283.35 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine is sourced from PubChem (CID 54931888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).