Mesdopetam

C12H18FNO3S — CID 70980485

IUPACN-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]propan-1-amine
SMILESCCCNCCOC1=CC(=CC(=C1)S(=O)(=O)C)F
InChIInChI=1S/C12H18FNO3S/c1-3-4-14-5-6-17-11-7-10(13)8-12(9-11)18(2,15)16/h7-9,14H,3-6H2,1-2H3
InChIKeyOSBPYFBXSLJHCR-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.70
Rot. Bonds7

About Mesdopetam

Mesdopetam (PubChem CID 70980485) has the molecular formula C12H18FNO3S and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameMesdopetam
PubChem CID70980485
Molecular FormulaC12H18FNO3S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC NameN-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]propan-1-amine
SMILESCCCNCCOC1=CC(=CC(=C1)S(=O)(=O)C)F
InChIInChI=1S/C12H18FNO3S/c1-3-4-14-5-6-17-11-7-10(13)8-12(9-11)18(2,15)16/h7-9,14H,3-6H2,1-2H3
InChIKeyOSBPYFBXSLJHCR-UHFFFAOYSA-N
XLogP1.70
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity329

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 77059090
3-ethoxy-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 6473317
N,2-dimethyl-N-[2-(3-methylsulfonylphenoxy)ethyl]butan-2-amine
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[3-(4-Methanesulfonylphenoxy)propyl](methyl)amine
CID 43807214
2-(4-Trifluoromethanesulfonylphenoxy)ethan-1-amine hydrochloride
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CID 165808077
2-(2-Methanesulfonylphenoxy)ethan-1-aminehydrochloride
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CID 3050836

Frequently Asked Questions

What is the IUPAC name of Mesdopetam?
The IUPAC name of Mesdopetam (CID 70980485) is N-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for Mesdopetam?
The canonical SMILES for Mesdopetam is CCCNCCOC1=CC(=CC(=C1)S(=O)(=O)C)F.
What is the InChIKey of Mesdopetam?
The InChIKey is OSBPYFBXSLJHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-3-4-14-5-6-17-11-7-10(13)8-12(9-11)18(2,15)16/h7-9,14H,3-6H2,1-2H3.
What are the key properties of Mesdopetam?
Mesdopetam has a molecular weight of 275.34 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Mesdopetam is sourced from PubChem (CID 70980485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).