(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine

C13H20FNO2S — CID 97070520

IUPAC(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
SMILESCCS(=O)(=O)C[C@H](C)N[C@H](C)c1cccc(F)c1
InChIInChI=1S/C13H20FNO2S/c1-4-18(16,17)9-10(2)15-11(3)12-6-5-7-13(14)8-12/h5-8,10-11,15H,4,9H2,1-3H3/t10-,11+/m0/s1
InChIKeyYDOACCAHUZOBNG-WDEREUQCSA-N
MW273.37 g/mol
LogP2.30
Rot. Bonds6

About (2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine

(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine (PubChem CID 97070520) has the molecular formula C13H20FNO2S and a molecular weight of 273.37 g/mol. Its IUPAC name is (2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
PubChem CID97070520
Molecular FormulaC13H20FNO2S
Molecular Weight273.37 g/mol
Exact Mass273.12
IUPAC Name(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
SMILESCCS(=O)(=O)C[C@H](C)N[C@H](C)c1cccc(F)c1
InChIInChI=1S/C13H20FNO2S/c1-4-18(16,17)9-10(2)15-11(3)12-6-5-7-13(14)8-12/h5-8,10-11,15H,4,9H2,1-3H3/t10-,11+/m0/s1
InChIKeyYDOACCAHUZOBNG-WDEREUQCSA-N
XLogP2.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]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

N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 81369924
1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine
CID 104867052
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 81364871
N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 54964315
(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 81364829
N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43098837
N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
CID 81366537
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine
CID 43094653
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide
CID 103106950
1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 83086983

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of (2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine (CID 97070520) is (2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for (2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for (2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine is CCS(=O)(=O)C[C@H](C)N[C@H](C)c1cccc(F)c1.
What is the InChIKey of (2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is YDOACCAHUZOBNG-WDEREUQCSA-N. The full InChI is InChI=1S/C13H20FNO2S/c1-4-18(16,17)9-10(2)15-11(3)12-6-5-7-13(14)8-12/h5-8,10-11,15H,4,9H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine?
(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 273.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 97070520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).