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

C12H18N2OS — CID 106430205

IUPAC3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine
SMILESC=CCSCCNc1ncccc1OCC
InChIInChI=1S/C12H18N2OS/c1-3-9-16-10-8-14-12-11(15-4-2)6-5-7-13-12/h3,5-7H,1,4,8-10H2,2H3,(H,13,14)
InChIKeyWZXJUYHFOABNSM-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.81
Rot. Bonds8

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

3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine (PubChem CID 106430205) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine
PubChem CID106430205
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine
SMILESC=CCSCCNc1ncccc1OCC
InChIInChI=1S/C12H18N2OS/c1-3-9-16-10-8-14-12-11(15-4-2)6-5-7-13-12/h3,5-7H,1,4,8-10H2,2H3,(H,13,14)
InChIKeyWZXJUYHFOABNSM-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.81
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-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine
CID 106430241
4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine
CID 106430295
3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine
CID 106426053
N-(6-chlorohexyl)-3-ethoxypyridin-2-amine
CID 107846423
N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106429998
3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine
CID 106191598
6-ethoxy-2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrimidin-4-amine
CID 114187837
3-ethoxy-N-(2,2,3-trimethylbutyl)pyridin-2-amine
CID 114100789
2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307052
3-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762551
2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104924081
4-N-(2-prop-2-enylsulfanylethyl)-6-propoxypyrimidine-4,5-diamine
CID 114187281

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine?
The IUPAC name of 3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine (CID 106430205) is 3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for 3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for 3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine is C=CCSCCNc1ncccc1OCC.
What is the InChIKey of 3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine?
The InChIKey is WZXJUYHFOABNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-9-16-10-8-14-12-11(15-4-2)6-5-7-13-12/h3,5-7H,1,4,8-10H2,2H3,(H,13,14).
What are the key properties of 3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine?
3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine has a molecular weight of 238.36 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 106430205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).