[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine

C13H14N2O3S — CID 114599487

IUPAC[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine
SMILESCS(=O)(=O)c1cccnc1Oc1ccc(CN)cc1
InChIInChI=1S/C13H14N2O3S/c1-19(16,17)12-3-2-8-15-13(12)18-11-6-4-10(9-14)5-7-11/h2-8H,9,14H2,1H3
InChIKeyNNLYDYDZJVKRIA-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.74
Rot. Bonds4

About [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine

[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine (PubChem CID 114599487) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine
PubChem CID114599487
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine
SMILESCS(=O)(=O)c1cccnc1Oc1ccc(CN)cc1
InChIInChI=1S/C13H14N2O3S/c1-19(16,17)12-3-2-8-15-13(12)18-11-6-4-10(9-14)5-7-11/h2-8H,9,14H2,1H3
InChIKeyNNLYDYDZJVKRIA-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

Analyze [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine?
The IUPAC name of [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine (CID 114599487) is [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine.
What is the SMILES notation for [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine?
The canonical SMILES for [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine is CS(=O)(=O)c1cccnc1Oc1ccc(CN)cc1.
What is the InChIKey of [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine?
The InChIKey is NNLYDYDZJVKRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-19(16,17)12-3-2-8-15-13(12)18-11-6-4-10(9-14)5-7-11/h2-8H,9,14H2,1H3.
What are the key properties of [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine?
[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]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 [4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine is sourced from PubChem (CID 114599487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).