(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine

C14H15FN2S — CID 113355221

IUPAC(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Sc2ccc(F)cc2)cn1
InChIInChI=1S/C14H15FN2S/c1-2-13(16)14-8-7-12(9-17-14)18-11-5-3-10(15)4-6-11/h3-9,13H,2,16H2,1H3/t13-/m0/s1
InChIKeyMZTKLFOZJPJINQ-ZDUSSCGKSA-N
MW262.35 g/mol
LogP3.78
Rot. Bonds4

About (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine

(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine (PubChem CID 113355221) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
PubChem CID113355221
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Sc2ccc(F)cc2)cn1
InChIInChI=1S/C14H15FN2S/c1-2-13(16)14-8-7-12(9-17-14)18-11-5-3-10(15)4-6-11/h3-9,13H,2,16H2,1H3/t13-/m0/s1
InChIKeyMZTKLFOZJPJINQ-ZDUSSCGKSA-N
XLogP3.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585182
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355452
(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938100
(1S)-1-[5-(4-methylsulfonylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938208
(1R)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 113355226
(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938124
N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide
CID 103938113
(1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938082
(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355234
(1S)-1-(5-propan-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938158
1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585012
2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 113355228

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine?
The IUPAC name of (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine (CID 113355221) is (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine is CC[C@H](N)c1ccc(Sc2ccc(F)cc2)cn1.
What is the InChIKey of (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine?
The InChIKey is MZTKLFOZJPJINQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-2-13(16)14-8-7-12(9-17-14)18-11-5-3-10(15)4-6-11/h3-9,13H,2,16H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine?
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 113355221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).