3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline

C14H16N2OS — CID 102881474

IUPAC3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline
SMILESCOc1cc(N)ccc1SCc1cncc(C)c1
InChIInChI=1S/C14H16N2OS/c1-10-5-11(8-16-7-10)9-18-14-4-3-12(15)6-13(14)17-2/h3-8H,9,15H2,1-2H3
InChIKeyDVWSGVQFAOVJGL-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.27
Rot. Bonds4

About 3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline

3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline (PubChem CID 102881474) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline
PubChem CID102881474
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline
SMILESCOc1cc(N)ccc1SCc1cncc(C)c1
InChIInChI=1S/C14H16N2OS/c1-10-5-11(8-16-7-10)9-18-14-4-3-12(15)6-13(14)17-2/h3-8H,9,15H2,1-2H3
InChIKeyDVWSGVQFAOVJGL-UHFFFAOYSA-N
XLogP3.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline with MolForge

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

Launch Full Analysis

Related Compounds

3-methoxy-4-[(2,4,6-trimethylphenyl)methylsulfanyl]aniline
CID 79830804
3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 79822864
4-[(3-fluorophenyl)methylsulfanyl]-3-methoxyaniline
CID 79822256
3-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline
CID 102881464
3-methoxy-4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]aniline
CID 82893476
4-[(4-amino-2-methoxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 79829829
3-methoxy-4-[(3-propylimidazol-4-yl)methylsulfanyl]aniline
CID 79830262
4-[(2-bromophenyl)methylsulfanyl]-3-methoxyaniline
CID 79822264
3-methoxy-4-[(1-methylpyrazol-3-yl)methylsulfanyl]aniline
CID 82866952
2-[(5-methyl-3-pyridinyl)methylsulfanyl]-3H-benzimidazol-5-amine
CID 102878442
(5-methyl-3-pyridinyl)methyl 5-amino-2-methoxybenzoate
CID 102878333
4-(2-fluoroethylsulfanyl)-3-methoxyaniline
CID 80694260

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline?
The IUPAC name of 3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline (CID 102881474) is 3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline.
What is the SMILES notation for 3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline?
The canonical SMILES for 3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline is COc1cc(N)ccc1SCc1cncc(C)c1.
What is the InChIKey of 3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline?
The InChIKey is DVWSGVQFAOVJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-5-11(8-16-7-10)9-18-14-4-3-12(15)6-13(14)17-2/h3-8H,9,15H2,1-2H3.
What are the key properties of 3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline?
3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline has a molecular weight of 260.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline is sourced from PubChem (CID 102881474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).