3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline

C14H16N2O2S — CID 81207770

IUPAC3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline
SMILESCOc1cc(N)ccc1S(=O)Cc1cccc(C)n1
InChIInChI=1S/C14H16N2O2S/c1-10-4-3-5-12(16-10)9-19(17)14-7-6-11(15)8-13(14)18-2/h3-8H,9,15H2,1-2H3
InChIKeyPFZMJPLGGQZISE-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.29
Rot. Bonds4

About 3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline

3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline (PubChem CID 81207770) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline
PubChem CID81207770
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline
SMILESCOc1cc(N)ccc1S(=O)Cc1cccc(C)n1
InChIInChI=1S/C14H16N2O2S/c1-10-4-3-5-12(16-10)9-19(17)14-7-6-11(15)8-13(14)18-2/h3-8H,9,15H2,1-2H3
InChIKeyPFZMJPLGGQZISE-UHFFFAOYSA-N
XLogP2.29
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.29
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-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol
CID 81207693
3-methoxy-4-(2-pyridin-2-ylethylsulfinyl)aniline
CID 81206702
3-methoxy-4-propylsulfinylaniline
CID 81194743
3-bromo-4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfinyl]aniline
CID 82895533
2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine
CID 79260541
3-methoxy-4-(3,3,3-trifluoropropylsulfinyl)aniline
CID 81207515
4-butylsulfinyl-3-methoxyaniline
CID 81194261
3-methoxy-4-[2-(trifluoromethoxy)ethylsulfinyl]aniline
CID 81206779
3-methoxy-4-nonylsulfinylaniline
CID 81206546
6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid
CID 106905204
(6-methyl-2-pyridinyl)methanesulfinic acid
CID 174710175

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline?
The IUPAC name of 3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline (CID 81207770) is 3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline.
What is the SMILES notation for 3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline?
The canonical SMILES for 3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline is COc1cc(N)ccc1S(=O)Cc1cccc(C)n1.
What is the InChIKey of 3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline?
The InChIKey is PFZMJPLGGQZISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-4-3-5-12(16-10)9-19(17)14-7-6-11(15)8-13(14)18-2/h3-8H,9,15H2,1-2H3.
What are the key properties of 3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline?
3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline has a molecular weight of 276.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline is sourced from PubChem (CID 81207770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).