N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide

C12H18F2N2O2S — CID 103776626

IUPACN-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide
SMILESCC(NCCCNS(C)(=O)=O)c1c(F)cccc1F
InChIInChI=1S/C12H18F2N2O2S/c1-9(12-10(13)5-3-6-11(12)14)15-7-4-8-16-19(2,17)18/h3,5-6,9,15-16H,4,7-8H2,1-2H3
InChIKeyRVZFZJPYOFSYRM-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.55
Rot. Bonds7

About N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide

N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide (PubChem CID 103776626) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide
PubChem CID103776626
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC NameN-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide
SMILESCC(NCCCNS(C)(=O)=O)c1c(F)cccc1F
InChIInChI=1S/C12H18F2N2O2S/c1-9(12-10(13)5-3-6-11(12)14)15-7-4-8-16-19(2,17)18/h3,5-6,9,15-16H,4,7-8H2,1-2H3
InChIKeyRVZFZJPYOFSYRM-UHFFFAOYSA-N
XLogP1.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.55
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]-N-ethylmethanesulfonamide
CID 61015400
N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide
CID 102612376
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide
CID 115708210
N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide
CID 103947611
N-[3-[1-(4-methylphenyl)ethylamino]propyl]methanesulfonamide
CID 113260022
N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine
CID 43101828
N-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203849
2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606877
5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol
CID 103905568
N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636418
N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206853

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide (CID 103776626) is N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide is CC(NCCCNS(C)(=O)=O)c1c(F)cccc1F.
What is the InChIKey of N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide?
The InChIKey is RVZFZJPYOFSYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-9(12-10(13)5-3-6-11(12)14)15-7-4-8-16-19(2,17)18/h3,5-6,9,15-16H,4,7-8H2,1-2H3.
What are the key properties of N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide?
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide has a molecular weight of 292.35 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide is sourced from PubChem (CID 103776626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).