3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline

C14H16N2O2S — CID 81206702

IUPAC3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline
SMILESCOc1cc(N)ccc1S(=O)CCc1ccccn1
InChIInChI=1S/C14H16N2O2S/c1-18-13-10-11(15)5-6-14(13)19(17)9-7-12-4-2-3-8-16-12/h2-6,8,10H,7,9,15H2,1H3
InChIKeyZOORGWHTRPMHBN-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.02
Rot. Bonds5

About 3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline

3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline (PubChem CID 81206702) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline
PubChem CID81206702
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline
SMILESCOc1cc(N)ccc1S(=O)CCc1ccccn1
InChIInChI=1S/C14H16N2O2S/c1-18-13-10-11(15)5-6-14(13)19(17)9-7-12-4-2-3-8-16-12/h2-6,8,10H,7,9,15H2,1H3
InChIKeyZOORGWHTRPMHBN-UHFFFAOYSA-N
XLogP2.02
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-(pyrimidin-2-ylmethylsulfinyl)aniline
CID 81207355
3-methoxy-4-propylsulfinylaniline
CID 81194743
3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]aniline
CID 103020512
4-butylsulfinyl-3-methoxyaniline
CID 81194261
3-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 107208208
3-methoxy-4-[2-(trifluoromethoxy)ethylsulfinyl]aniline
CID 81206779
3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline
CID 81207770
3-methoxy-4-(3,3,3-trifluoropropylsulfinyl)aniline
CID 81207515
3-methoxy-4-nonylsulfinylaniline
CID 81206546
4-bromo-2-(2-pyridin-2-ylethylsulfinyl)aniline
CID 81207407
4-methoxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 43247155
3-methoxy-4-(2-pyrrolidin-1-ylethylsulfinyl)aniline
CID 114015336

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline?
The IUPAC name of 3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline (CID 81206702) is 3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline.
What is the SMILES notation for 3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline?
The canonical SMILES for 3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline is COc1cc(N)ccc1S(=O)CCc1ccccn1.
What is the InChIKey of 3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline?
The InChIKey is ZOORGWHTRPMHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-18-13-10-11(15)5-6-14(13)19(17)9-7-12-4-2-3-8-16-12/h2-6,8,10H,7,9,15H2,1H3.
What are the key properties of 3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline?
3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline has a molecular weight of 276.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline is sourced from PubChem (CID 81206702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).