[2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine

C13H14N2O3S — CID 43806809

IUPAC[2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
SMILESCS(=O)(=O)c1ccc(Oc2ncccc2CN)cc1
InChIInChI=1S/C13H14N2O3S/c1-19(16,17)12-6-4-11(5-7-12)18-13-10(9-14)3-2-8-15-13/h2-8H,9,14H2,1H3
InChIKeyUXOZAQAHBXVZKK-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.74
Rot. Bonds4

About [2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine

[2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine (PubChem CID 43806809) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is [2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
PubChem CID43806809
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name[2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
SMILESCS(=O)(=O)c1ccc(Oc2ncccc2CN)cc1
InChIInChI=1S/C13H14N2O3S/c1-19(16,17)12-6-4-11(5-7-12)18-13-10(9-14)3-2-8-15-13/h2-8H,9,14H2,1H3
InChIKeyUXOZAQAHBXVZKK-UHFFFAOYSA-N
XLogP1.74
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide
CID 115928497
[3-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62895729
[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine
CID 114599487
[4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 43806811
[2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine
CID 43351770
[2-(3-ethylphenoxy)-3-pyridinyl]methanamine
CID 24706317
(2-methoxy-3-pyridinyl)methanamine;hydrochloride
CID 71627038
8-(4-methylsulfonylphenoxy)quinoline
CID 11220281
[4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
CID 61175958
[3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62895899
[2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 114879942
2-[(4-methylsulfonylphenoxy)methyl]aniline
CID 43806870

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine (CID 43806809) is [2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine is CS(=O)(=O)c1ccc(Oc2ncccc2CN)cc1.
What is the InChIKey of [2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine?
The InChIKey is UXOZAQAHBXVZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-19(16,17)12-6-4-11(5-7-12)18-13-10(9-14)3-2-8-15-13/h2-8H,9,14H2,1H3.
What are the key properties of [2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine?
[2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine has a molecular weight of 278.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 43806809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).