6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine

C14H16N2OS — CID 79213880

IUPAC6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine
SMILESCOc1ccc(NCCSc2ccccc2)cn1
InChIInChI=1S/C14H16N2OS/c1-17-14-8-7-12(11-16-14)15-9-10-18-13-5-3-2-4-6-13/h2-8,11,15H,9-10H2,1H3
InChIKeyRLWRROBSLVPKLS-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.29
Rot. Bonds6

About 6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine

6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine (PubChem CID 79213880) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine
PubChem CID79213880
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine
SMILESCOc1ccc(NCCSc2ccccc2)cn1
InChIInChI=1S/C14H16N2OS/c1-17-14-8-7-12(11-16-14)15-9-10-18-13-5-3-2-4-6-13/h2-8,11,15H,9-10H2,1H3
InChIKeyRLWRROBSLVPKLS-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methoxy-3-pyridinyl)-2-phenylsulfanylacetamide
CID 2486887
3,4-dimethoxy-N-(2-phenylsulfanylethyl)aniline
CID 79213147
4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine
CID 115354984
N-(2-phenylsulfanylethyl)-4-propan-2-yloxyaniline
CID 79213159
5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-2-amine
CID 63208478
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine
CID 54962267
6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine
CID 115513408
methyl 4-(2-phenylsulfanylethylamino)pyridine-2-carboxylate
CID 66286043
4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine
CID 79227267
6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine
CID 43688348
3-methylsulfanyl-N-(2-phenylsulfanylethyl)aniline
CID 79212652
6-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-3-amine
CID 23440804

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine?
The IUPAC name of 6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine (CID 79213880) is 6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine is COc1ccc(NCCSc2ccccc2)cn1.
What is the InChIKey of 6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine?
The InChIKey is RLWRROBSLVPKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-17-14-8-7-12(11-16-14)15-9-10-18-13-5-3-2-4-6-13/h2-8,11,15H,9-10H2,1H3.
What are the key properties of 6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine?
6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine has a molecular weight of 260.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine is sourced from PubChem (CID 79213880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).