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

C11H18N2O3S — CID 106722892

IUPAC6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine
SMILESCCCS(=O)(=O)CCNc1ccc(OC)nc1
InChIInChI=1S/C11H18N2O3S/c1-3-7-17(14,15)8-6-12-10-4-5-11(16-2)13-9-10/h4-5,9,12H,3,6-8H2,1-2H3
InChIKeyJHGAJGOJWMYCOK-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.33
Rot. Bonds7

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

6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine (PubChem CID 106722892) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine
PubChem CID106722892
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine
SMILESCCCS(=O)(=O)CCNc1ccc(OC)nc1
InChIInChI=1S/C11H18N2O3S/c1-3-7-17(14,15)8-6-12-10-4-5-11(16-2)13-9-10/h4-5,9,12H,3,6-8H2,1-2H3
InChIKeyJHGAJGOJWMYCOK-UHFFFAOYSA-N
XLogP1.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine?
The IUPAC name of 6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine (CID 106722892) is 6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine is CCCS(=O)(=O)CCNc1ccc(OC)nc1.
What is the InChIKey of 6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine?
The InChIKey is JHGAJGOJWMYCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-7-17(14,15)8-6-12-10-4-5-11(16-2)13-9-10/h4-5,9,12H,3,6-8H2,1-2H3.
What are the key properties of 6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine?
6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine has a molecular weight of 258.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-propylsulfonylethyl)pyridin-3-amine is sourced from PubChem (CID 106722892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).