(2S)-1-(4-ethylsulfonylphenyl)-3-fluoropropan-2-amine

C11H16FNO2S — CID 71050141

IUPAC(2S)-1-(4-ethylsulfonylphenyl)-3-fluoropropan-2-amine
SMILESCCS(=O)(=O)c1ccc(C[C@H](N)CF)cc1
InChIInChI=1S/C11H16FNO2S/c1-2-16(14,15)11-5-3-9(4-6-11)7-10(13)8-12/h3-6,10H,2,7-8,13H2,1H3/t10-/m0/s1
InChIKeySLAMFYHWVZUPIV-JTQLQIEISA-N
MW245.32 g/mol
LogP1.32
Rot. Bonds5

About (2S)-1-(4-ethylsulfonylphenyl)-3-fluoropropan-2-amine

(2S)-1-(4-ethylsulfonylphenyl)-3-fluoropropan-2-amine (PubChem CID 71050141) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is (2S)-1-(4-ethylsulfonylphenyl)-3-fluoropropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-ethylsulfonylphenyl)-3-fluoropropan-2-amine
PubChem CID71050141
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC Name(2S)-1-(4-ethylsulfonylphenyl)-3-fluoropropan-2-amine
SMILESCCS(=O)(=O)c1ccc(C[C@H](N)CF)cc1
InChIInChI=1S/C11H16FNO2S/c1-2-16(14,15)11-5-3-9(4-6-11)7-10(13)8-12/h3-6,10H,2,7-8,13H2,1H3/t10-/m0/s1
InChIKeySLAMFYHWVZUPIV-JTQLQIEISA-N
XLogP1.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-ethylsulfonylphenyl)-3-fluoropropan-2-amine?
The IUPAC name of (2S)-1-(4-ethylsulfonylphenyl)-3-fluoropropan-2-amine (CID 71050141) is (2S)-1-(4-ethylsulfonylphenyl)-3-fluoropropan-2-amine.
What is the SMILES notation for (2S)-1-(4-ethylsulfonylphenyl)-3-fluoropropan-2-amine?
The canonical SMILES for (2S)-1-(4-ethylsulfonylphenyl)-3-fluoropropan-2-amine is CCS(=O)(=O)c1ccc(C[C@H](N)CF)cc1.
What is the InChIKey of (2S)-1-(4-ethylsulfonylphenyl)-3-fluoropropan-2-amine?
The InChIKey is SLAMFYHWVZUPIV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-2-16(14,15)11-5-3-9(4-6-11)7-10(13)8-12/h3-6,10H,2,7-8,13H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-(4-ethylsulfonylphenyl)-3-fluoropropan-2-amine?
(2S)-1-(4-ethylsulfonylphenyl)-3-fluoropropan-2-amine has a molecular weight of 245.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-ethylsulfonylphenyl)-3-fluoropropan-2-amine is sourced from PubChem (CID 71050141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).