4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine

C13H14N2O2S — CID 62113991

IUPAC4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine
SMILESCOc1ccccc1CS(=O)c1ccncc1N
InChIInChI=1S/C13H14N2O2S/c1-17-12-5-3-2-4-10(12)9-18(16)13-6-7-15-8-11(13)14/h2-8H,9,14H2,1H3
InChIKeyHOQGIAMUXAFJSK-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.98
Rot. Bonds4

About 4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine

4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine (PubChem CID 62113991) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine
PubChem CID62113991
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine
SMILESCOc1ccccc1CS(=O)c1ccncc1N
InChIInChI=1S/C13H14N2O2S/c1-17-12-5-3-2-4-10(12)9-18(16)13-6-7-15-8-11(13)14/h2-8H,9,14H2,1H3
InChIKeyHOQGIAMUXAFJSK-UHFFFAOYSA-N
XLogP1.98
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine?
The IUPAC name of 4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine (CID 62113991) is 4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine.
What is the SMILES notation for 4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine?
The canonical SMILES for 4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine is COc1ccccc1CS(=O)c1ccncc1N.
What is the InChIKey of 4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine?
The InChIKey is HOQGIAMUXAFJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-17-12-5-3-2-4-10(12)9-18(16)13-6-7-15-8-11(13)14/h2-8H,9,14H2,1H3.
What are the key properties of 4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine?
4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine has a molecular weight of 262.33 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 4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine is sourced from PubChem (CID 62113991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).