[2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine

C11H16N2OS — CID 62996477

IUPAC[2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(SC2CCOCC2)c1
InChIInChI=1S/C11H16N2OS/c12-8-9-1-4-13-11(7-9)15-10-2-5-14-6-3-10/h1,4,7,10H,2-3,5-6,8,12H2
InChIKeyRLOHOMGXIVWHRM-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.81
Rot. Bonds3

About [2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine

[2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine (PubChem CID 62996477) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is [2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine
PubChem CID62996477
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name[2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(SC2CCOCC2)c1
InChIInChI=1S/C11H16N2OS/c12-8-9-1-4-13-11(7-9)15-10-2-5-14-6-3-10/h1,4,7,10H,2-3,5-6,8,12H2
InChIKeyRLOHOMGXIVWHRM-UHFFFAOYSA-N
XLogP1.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine (CID 62996477) is [2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine is NCc1ccnc(SC2CCOCC2)c1.
What is the InChIKey of [2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine?
The InChIKey is RLOHOMGXIVWHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c12-8-9-1-4-13-11(7-9)15-10-2-5-14-6-3-10/h1,4,7,10H,2-3,5-6,8,12H2.
What are the key properties of [2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine?
[2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine has a molecular weight of 224.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-ylsulfanyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 62996477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).