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

C13H21FN2O2S — CID 102612376

IUPACN-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide
SMILESCC(Cc1ccccc1F)NCCCNS(C)(=O)=O
InChIInChI=1S/C13H21FN2O2S/c1-11(10-12-6-3-4-7-13(12)14)15-8-5-9-16-19(2,17)18/h3-4,6-7,11,15-16H,5,8-10H2,1-2H3
InChIKeyCMSPXTOJHQYBEP-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.29
Rot. Bonds8

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

N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide (PubChem CID 102612376) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide
PubChem CID102612376
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC NameN-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide
SMILESCC(Cc1ccccc1F)NCCCNS(C)(=O)=O
InChIInChI=1S/C13H21FN2O2S/c1-11(10-12-6-3-4-7-13(12)14)15-8-5-9-16-19(2,17)18/h3-4,6-7,11,15-16H,5,8-10H2,1-2H3
InChIKeyCMSPXTOJHQYBEP-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
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-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide
CID 103776626
N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611752
1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
CID 115592301
N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide
CID 103947611
3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile
CID 115591783
3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide
CID 114829658
N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine
CID 114830878
1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
CID 114829606
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606877
1-(2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-2-amine
CID 114830149
4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol
CID 114829509

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide (CID 102612376) is N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide is CC(Cc1ccccc1F)NCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide?
The InChIKey is CMSPXTOJHQYBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-11(10-12-6-3-4-7-13(12)14)15-8-5-9-16-19(2,17)18/h3-4,6-7,11,15-16H,5,8-10H2,1-2H3.
What are the key properties of N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide?
N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 1.29, 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)propan-2-ylamino]propyl]methanesulfonamide is sourced from PubChem (CID 102612376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).