1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine

C11H16N2OS — CID 112585172

IUPAC1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(SC2COC2)cn1
InChIInChI=1S/C11H16N2OS/c1-2-10(12)11-4-3-8(5-13-11)15-9-6-14-7-9/h3-5,9-10H,2,6-7,12H2,1H3
InChIKeyOLVXVKDBFGRSLU-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.98
Rot. Bonds4

About 1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine

1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine (PubChem CID 112585172) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine
PubChem CID112585172
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(SC2COC2)cn1
InChIInChI=1S/C11H16N2OS/c1-2-10(12)11-4-3-8(5-13-11)15-9-6-14-7-9/h3-5,9-10H,2,6-7,12H2,1H3
InChIKeyOLVXVKDBFGRSLU-UHFFFAOYSA-N
XLogP1.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine?
The IUPAC name of 1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine (CID 112585172) is 1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine is CCC(N)c1ccc(SC2COC2)cn1.
What is the InChIKey of 1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine?
The InChIKey is OLVXVKDBFGRSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-10(12)11-4-3-8(5-13-11)15-9-6-14-7-9/h3-5,9-10H,2,6-7,12H2,1H3.
What are the key properties of 1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine?
1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine has a molecular weight of 224.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 112585172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).