2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine

C8H11FN2S — CID 82504291

IUPAC2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine
SMILESCC(CN)Sc1ncccc1F
InChIInChI=1S/C8H11FN2S/c1-6(5-10)12-8-7(9)3-2-4-11-8/h2-4,6H,5,10H2,1H3
InChIKeyXPFCIKCMJUVROV-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.66
Rot. Bonds3

About 2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine

2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine (PubChem CID 82504291) has the molecular formula C8H11FN2S and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine
PubChem CID82504291
Molecular FormulaC8H11FN2S
Molecular Weight186.26 g/mol
Exact Mass186.06
IUPAC Name2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine
SMILESCC(CN)Sc1ncccc1F
InChIInChI=1S/C8H11FN2S/c1-6(5-10)12-8-7(9)3-2-4-11-8/h2-4,6H,5,10H2,1H3
InChIKeyXPFCIKCMJUVROV-UHFFFAOYSA-N
XLogP1.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine (CID 82504291) is 2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine is CC(CN)Sc1ncccc1F.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine?
The InChIKey is XPFCIKCMJUVROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2S/c1-6(5-10)12-8-7(9)3-2-4-11-8/h2-4,6H,5,10H2,1H3.
What are the key properties of 2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine?
2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine has a molecular weight of 186.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine is sourced from PubChem (CID 82504291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).