(2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine

C11H16FNS — CID 59125346

IUPAC(2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine
SMILESCCC[C@H](N)CSc1ccc(F)cc1
InChIInChI=1S/C11H16FNS/c1-2-3-10(13)8-14-11-6-4-9(12)5-7-11/h4-7,10H,2-3,8,13H2,1H3/t10-/m0/s1
InChIKeyYNRXBJYGAOLVCT-JTQLQIEISA-N
MW213.32 g/mol
LogP3.05
Rot. Bonds5

About (2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine

(2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine (PubChem CID 59125346) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine
PubChem CID59125346
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name(2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine
SMILESCCC[C@H](N)CSc1ccc(F)cc1
InChIInChI=1S/C11H16FNS/c1-2-3-10(13)8-14-11-6-4-9(12)5-7-11/h4-7,10H,2-3,8,13H2,1H3/t10-/m0/s1
InChIKeyYNRXBJYGAOLVCT-JTQLQIEISA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine?
The IUPAC name of (2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine (CID 59125346) is (2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine?
The canonical SMILES for (2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine is CCC[C@H](N)CSc1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine?
The InChIKey is YNRXBJYGAOLVCT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16FNS/c1-2-3-10(13)8-14-11-6-4-9(12)5-7-11/h4-7,10H,2-3,8,13H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine?
(2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine has a molecular weight of 213.32 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)sulfanylpentan-2-amine is sourced from PubChem (CID 59125346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).