2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine

C12H18FNO2S — CID 102551040

IUPAC2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine
SMILESCCC(C(N)c1ccccc1F)S(=O)(=O)CC
InChIInChI=1S/C12H18FNO2S/c1-3-11(17(15,16)4-2)12(14)9-7-5-6-8-10(9)13/h5-8,11-12H,3-4,14H2,1-2H3
InChIKeyZUGJWTPBVBGUMN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.04
Rot. Bonds5

About 2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine

2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine (PubChem CID 102551040) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine
PubChem CID102551040
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC Name2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine
SMILESCCC(C(N)c1ccccc1F)S(=O)(=O)CC
InChIInChI=1S/C12H18FNO2S/c1-3-11(17(15,16)4-2)12(14)9-7-5-6-8-10(9)13/h5-8,11-12H,3-4,14H2,1-2H3
InChIKeyZUGJWTPBVBGUMN-UHFFFAOYSA-N
XLogP2.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethylsulfonyl-1-(2-fluorophenyl)butan-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

(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride
CID 171160706
1-(2-fluorophenyl)propan-1-amine
CID 18439474
4-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine
CID 65095963
1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine
CID 115828079
1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
CID 55019117
N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679793
1-[(1R)-1-azidopropyl]-2-fluorobenzene
CID 104853505
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylbutyl)propane-1,2-diamine
CID 79477287
2-bromo-1-(2-fluorophenyl)-2-methylsulfonylbutan-1-ol
CID 102550507
4-ethylsulfonyl-2-(2-fluorophenyl)butan-1-ol
CID 79448797
2-ethoxy-1-(2-fluorophenyl)-2-phenylethanamine
CID 116773494
2,3-diamino-3-(2-fluorophenyl)propanoic acid
CID 116942285

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine?
The IUPAC name of 2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine (CID 102551040) is 2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine.
What is the SMILES notation for 2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine?
The canonical SMILES for 2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine is CCC(C(N)c1ccccc1F)S(=O)(=O)CC.
What is the InChIKey of 2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine?
The InChIKey is ZUGJWTPBVBGUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-3-11(17(15,16)4-2)12(14)9-7-5-6-8-10(9)13/h5-8,11-12H,3-4,14H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine?
2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-1-(2-fluorophenyl)butan-1-amine is sourced from PubChem (CID 102551040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).