1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone

C14H20FNOS — CID 112662027

IUPAC1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone
SMILESCCC(CSC)N(C)CC(=O)c1cccc(F)c1
InChIInChI=1S/C14H20FNOS/c1-4-13(10-18-3)16(2)9-14(17)11-6-5-7-12(15)8-11/h5-8,13H,4,9-10H2,1-3H3
InChIKeyBWDCFAKWOBVQEW-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.08
Rot. Bonds7

About 1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone

1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone (PubChem CID 112662027) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone
PubChem CID112662027
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone
SMILESCCC(CSC)N(C)CC(=O)c1cccc(F)c1
InChIInChI=1S/C14H20FNOS/c1-4-13(10-18-3)16(2)9-14(17)11-6-5-7-12(15)8-11/h5-8,13H,4,9-10H2,1-3H3
InChIKeyBWDCFAKWOBVQEW-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone 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-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone
CID 43796826
1-(3-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-1-one
CID 112664545
1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796075
1-(3,4-difluorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethanone
CID 112662119
2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
CID 62036895
2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone
CID 43795891
4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
CID 112662012
2-(N-ethylanilino)-1-(3-fluorophenyl)ethanone
CID 43227492
2-[ethyl(furan-2-ylmethyl)amino]-1-(3-fluorophenyl)ethanone
CID 62037198
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone
CID 55010646
3-[[2-(3-fluorophenyl)-2-oxoethyl]-methylamino]-2-methylpropanenitrile
CID 62051693
1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
CID 60681563

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone (CID 112662027) is 1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone is CCC(CSC)N(C)CC(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone?
The InChIKey is BWDCFAKWOBVQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-4-13(10-18-3)16(2)9-14(17)11-6-5-7-12(15)8-11/h5-8,13H,4,9-10H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone?
1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone has a molecular weight of 269.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]ethanone is sourced from PubChem (CID 112662027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).