N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide

C13H21FN2O2S — CID 103947611

IUPACN-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide
SMILESCCC(NCCCNS(C)(=O)=O)c1ccccc1F
InChIInChI=1S/C13H21FN2O2S/c1-3-13(11-7-4-5-8-12(11)14)15-9-6-10-16-19(2,17)18/h4-5,7-8,13,15-16H,3,6,9-10H2,1-2H3
InChIKeyUUSCBLHZVQKFKZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.81
Rot. Bonds8

About N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide

N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide (PubChem CID 103947611) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide
PubChem CID103947611
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC NameN-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide
SMILESCCC(NCCCNS(C)(=O)=O)c1ccccc1F
InChIInChI=1S/C13H21FN2O2S/c1-3-13(11-7-4-5-8-12(11)14)15-9-6-10-16-19(2,17)18/h4-5,7-8,13,15-16H,3,6,9-10H2,1-2H3
InChIKeyUUSCBLHZVQKFKZ-UHFFFAOYSA-N
XLogP1.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.81
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

1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine
CID 143236247
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide
CID 103776626
N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide
CID 102612376
N-[3-[1-(4-bromophenyl)propylamino]propyl]methanesulfonamide
CID 103776673
N-[3-(1-phenylpentylamino)propyl]methanesulfonamide
CID 103716746
3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide
CID 112631456
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611752
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826
N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine
CID 4711979
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
tert-butyl N-[3-[1-(2-fluorophenyl)propylamino]propyl]-N-methylcarbamate
CID 107242068

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide (CID 103947611) is N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide is CCC(NCCCNS(C)(=O)=O)c1ccccc1F.
What is the InChIKey of N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide?
The InChIKey is UUSCBLHZVQKFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-3-13(11-7-4-5-8-12(11)14)15-9-6-10-16-19(2,17)18/h4-5,7-8,13,15-16H,3,6,9-10H2,1-2H3.
What are the key properties of N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide?
N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide is sourced from PubChem (CID 103947611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).