1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine

C12H18FNO2S — CID 115626138

IUPAC1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)NCc1cccc(F)c1
InChIInChI=1S/C12H18FNO2S/c1-3-17(15,16)9-10(2)14-8-11-5-4-6-12(13)7-11/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyLWWYQHOSZUTGOV-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.74
Rot. Bonds6

About 1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine

1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine (PubChem CID 115626138) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine
PubChem CID115626138
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC Name1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)NCc1cccc(F)c1
InChIInChI=1S/C12H18FNO2S/c1-3-17(15,16)9-10(2)14-8-11-5-4-6-12(13)7-11/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyLWWYQHOSZUTGOV-UHFFFAOYSA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-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-ethylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 115626116
1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 115626076
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
N-[(3-fluorophenyl)methyl]pent-4-en-2-amine
CID 115633143
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
N-[(3-fluorophenyl)methyl]hex-5-en-2-amine
CID 75525500
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115592338
(2S)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine
CID 73053478
1-[(3-fluorophenyl)methylamino]propan-1-ol
CID 90777297
(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of 1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine (CID 115626138) is 1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for 1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine is CCS(=O)(=O)CC(C)NCc1cccc(F)c1.
What is the InChIKey of 1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine?
The InChIKey is LWWYQHOSZUTGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-3-17(15,16)9-10(2)14-8-11-5-4-6-12(13)7-11/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine?
1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 115626138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).