6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine

C12H20N4O3S — CID 115320463

IUPAC6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NC2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H20N4O3S/c1-19-11-4-3-10(13)12(15-11)14-9-5-7-16(8-6-9)20(2,17)18/h3-4,9H,5-8,13H2,1-2H3,(H,14,15)
InChIKeyMXZLGJRKMZGTOM-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.51
Rot. Bonds4

About 6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine

6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine (PubChem CID 115320463) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine
PubChem CID115320463
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NC2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H20N4O3S/c1-19-11-4-3-10(13)12(15-11)14-9-5-7-16(8-6-9)20(2,17)18/h3-4,9H,5-8,13H2,1-2H3,(H,14,15)
InChIKeyMXZLGJRKMZGTOM-UHFFFAOYSA-N
XLogP0.51
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine (CID 115320463) is 6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine is COc1ccc(N)c(NC2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine?
The InChIKey is MXZLGJRKMZGTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-19-11-4-3-10(13)12(15-11)14-9-5-7-16(8-6-9)20(2,17)18/h3-4,9H,5-8,13H2,1-2H3,(H,14,15).
What are the key properties of 6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine?
6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine has a molecular weight of 300.38 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine is sourced from PubChem (CID 115320463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).