[3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine

C14H16N2O3S — CID 62895899

IUPAC[3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCS(=O)(=O)c1cccc(OCc2cccnc2CN)c1
InChIInChI=1S/C14H16N2O3S/c1-20(17,18)13-6-2-5-12(8-13)19-10-11-4-3-7-16-14(11)9-15/h2-8H,9-10,15H2,1H3
InChIKeyYTBZGFIQAISZRM-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.52
Rot. Bonds5

About [3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine

[3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 62895899) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is [3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID62895899
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name[3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCS(=O)(=O)c1cccc(OCc2cccnc2CN)c1
InChIInChI=1S/C14H16N2O3S/c1-20(17,18)13-6-2-5-12(8-13)19-10-11-4-3-7-16-14(11)9-15/h2-8H,9-10,15H2,1H3
InChIKeyYTBZGFIQAISZRM-UHFFFAOYSA-N
XLogP1.52
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine (CID 62895899) is [3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine is CS(=O)(=O)c1cccc(OCc2cccnc2CN)c1.
What is the InChIKey of [3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is YTBZGFIQAISZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-20(17,18)13-6-2-5-12(8-13)19-10-11-4-3-7-16-14(11)9-15/h2-8H,9-10,15H2,1H3.
What are the key properties of [3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine?
[3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine has a molecular weight of 292.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 62895899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).