3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine

C10H15FN2O3S — CID 110627344

IUPAC3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine
SMILESCNS(=O)(=O)NCCCOc1ccc(F)cc1
InChIInChI=1S/C10H15FN2O3S/c1-12-17(14,15)13-7-2-8-16-10-5-3-9(11)4-6-10/h3-6,12-13H,2,7-8H2,1H3
InChIKeyUAHGIIXCXUPVIN-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.65
Rot. Bonds7

About 3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine

3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine (PubChem CID 110627344) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine
PubChem CID110627344
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine
SMILESCNS(=O)(=O)NCCCOc1ccc(F)cc1
InChIInChI=1S/C10H15FN2O3S/c1-12-17(14,15)13-7-2-8-16-10-5-3-9(11)4-6-10/h3-6,12-13H,2,7-8H2,1H3
InChIKeyUAHGIIXCXUPVIN-UHFFFAOYSA-N
XLogP0.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
CID 35617109
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide
CID 110307295
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
CID 47474310
N-[3-(4-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288279
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide
CID 110288266
N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine
CID 22368875
N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 30365742
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30867085

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine?
The IUPAC name of 3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine (CID 110627344) is 3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine is CNS(=O)(=O)NCCCOc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine?
The InChIKey is UAHGIIXCXUPVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-12-17(14,15)13-7-2-8-16-10-5-3-9(11)4-6-10/h3-6,12-13H,2,7-8H2,1H3.
What are the key properties of 3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine?
3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine has a molecular weight of 262.31 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine is sourced from PubChem (CID 110627344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).