1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine

C13H16FNO3S — CID 105046197

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine
SMILESCNC(c1cc2cc(F)ccc2o1)C(C)S(C)(=O)=O
InChIInChI=1S/C13H16FNO3S/c1-8(19(3,16)17)13(15-2)12-7-9-6-10(14)4-5-11(9)18-12/h4-8,13,15H,1-3H3
InChIKeyMCEUKLAUTAFLKE-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.27
Rot. Bonds4

About 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine

1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 105046197) has the molecular formula C13H16FNO3S and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine
PubChem CID105046197
Molecular FormulaC13H16FNO3S
Molecular Weight285.34 g/mol
Exact Mass285.08
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine
SMILESCNC(c1cc2cc(F)ccc2o1)C(C)S(C)(=O)=O
InChIInChI=1S/C13H16FNO3S/c1-8(19(3,16)17)13(15-2)12-7-9-6-10(14)4-5-11(9)18-12/h4-8,13,15H,1-3H3
InChIKeyMCEUKLAUTAFLKE-UHFFFAOYSA-N
XLogP2.27
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 104518481
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098
N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide
CID 146127773
1-(4,4-difluorocyclohexyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105185874
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 114735623
[1-(5-fluoro-1-benzofuran-2-yl)-2-propylpentyl]hydrazine
CID 105338630
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114730411
[1-(5-fluoro-1-benzofuran-2-yl)-4-methoxypentyl]hydrazine
CID 105338684
2-ethoxy-2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 114731371
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114727953

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine (CID 105046197) is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine is CNC(c1cc2cc(F)ccc2o1)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is MCEUKLAUTAFLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3S/c1-8(19(3,16)17)13(15-2)12-7-9-6-10(14)4-5-11(9)18-12/h4-8,13,15H,1-3H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine?
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 285.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 105046197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).