3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine

C11H16N2OS — CID 106430241

IUPAC3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine
SMILESC=CCSCCNc1ncccc1OC
InChIInChI=1S/C11H16N2OS/c1-3-8-15-9-7-13-11-10(14-2)5-4-6-12-11/h3-6H,1,7-9H2,2H3,(H,12,13)
InChIKeyZCBZDCPLFNWMML-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.42
Rot. Bonds7

About 3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine

3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine (PubChem CID 106430241) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine
PubChem CID106430241
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine
SMILESC=CCSCCNc1ncccc1OC
InChIInChI=1S/C11H16N2OS/c1-3-8-15-9-7-13-11-10(14-2)5-4-6-12-11/h3-6H,1,7-9H2,2H3,(H,12,13)
InChIKeyZCBZDCPLFNWMML-UHFFFAOYSA-N
XLogP2.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine
CID 106430205
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958
3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine
CID 106426053
N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106429998
N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine
CID 107844863
6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848736
5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 106128585
4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine
CID 106430202
N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine
CID 113371329
N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155329
2-[(3-methoxy-2-pyridinyl)amino]acetic acid
CID 83828470
N-(3-cyclopentylpropyl)-3-methoxypyridin-2-amine
CID 114137239

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine?
The IUPAC name of 3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine (CID 106430241) is 3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for 3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for 3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine is C=CCSCCNc1ncccc1OC.
What is the InChIKey of 3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine?
The InChIKey is ZCBZDCPLFNWMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-8-15-9-7-13-11-10(14-2)5-4-6-12-11/h3-6H,1,7-9H2,2H3,(H,12,13).
What are the key properties of 3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine?
3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine has a molecular weight of 224.33 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 106430241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).