1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol

C10H16INO2S — CID 106245884

IUPAC1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCc1ccc(I)o1
InChIInChI=1S/C10H16INO2S/c1-10(13,7-15-2)6-12-5-8-3-4-9(11)14-8/h3-4,12-13H,5-7H2,1-2H3
InChIKeyUUHTVKMEMOKMES-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.09
Rot. Bonds6

About 1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106245884) has the molecular formula C10H16INO2S and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106245884
Molecular FormulaC10H16INO2S
Molecular Weight341.21 g/mol
Exact Mass340.99
IUPAC Name1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCc1ccc(I)o1
InChIInChI=1S/C10H16INO2S/c1-10(13,7-15-2)6-12-5-8-3-4-9(11)14-8/h3-4,12-13H,5-7H2,1-2H3
InChIKeyUUHTVKMEMOKMES-UHFFFAOYSA-N
XLogP2.09
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 66169874
2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol
CID 66169654
2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111437042
1-[(5-tert-butylthiophen-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 103816316
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 61166436
3,3-dimethyl-4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol
CID 103708039
1-[(3-chlorophenyl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 111437026
2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 111437059
2-methyl-1-[(6-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol
CID 104755765
6-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboxylic acid
CID 114163806
2-methyl-1-methylsulfanyl-3-[(4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 103682969
1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103527551

Frequently Asked Questions

What is the IUPAC name of 1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 106245884) is 1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNCc1ccc(I)o1.
What is the InChIKey of 1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is UUHTVKMEMOKMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INO2S/c1-10(13,7-15-2)6-12-5-8-3-4-9(11)14-8/h3-4,12-13H,5-7H2,1-2H3.
What are the key properties of 1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 341.21 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106245884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).