6-methoxy-2-propylsulfonylpyridin-3-amine

C9H14N2O3S — CID 115321328

IUPAC6-methoxy-2-propylsulfonylpyridin-3-amine
SMILESCCCS(=O)(=O)c1nc(OC)ccc1N
InChIInChI=1S/C9H14N2O3S/c1-3-6-15(12,13)9-7(10)4-5-8(11-9)14-2/h4-5H,3,6,10H2,1-2H3
InChIKeyRMRKMYFTYQTGIN-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.86
Rot. Bonds4

About 6-methoxy-2-propylsulfonylpyridin-3-amine

6-methoxy-2-propylsulfonylpyridin-3-amine (PubChem CID 115321328) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 6-methoxy-2-propylsulfonylpyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-2-propylsulfonylpyridin-3-amine
PubChem CID115321328
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name6-methoxy-2-propylsulfonylpyridin-3-amine
SMILESCCCS(=O)(=O)c1nc(OC)ccc1N
InChIInChI=1S/C9H14N2O3S/c1-3-6-15(12,13)9-7(10)4-5-8(11-9)14-2/h4-5H,3,6,10H2,1-2H3
InChIKeyRMRKMYFTYQTGIN-UHFFFAOYSA-N
XLogP0.86
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-propylsulfonylpyridin-3-amine?
The IUPAC name of 6-methoxy-2-propylsulfonylpyridin-3-amine (CID 115321328) is 6-methoxy-2-propylsulfonylpyridin-3-amine.
What is the SMILES notation for 6-methoxy-2-propylsulfonylpyridin-3-amine?
The canonical SMILES for 6-methoxy-2-propylsulfonylpyridin-3-amine is CCCS(=O)(=O)c1nc(OC)ccc1N.
What is the InChIKey of 6-methoxy-2-propylsulfonylpyridin-3-amine?
The InChIKey is RMRKMYFTYQTGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-3-6-15(12,13)9-7(10)4-5-8(11-9)14-2/h4-5H,3,6,10H2,1-2H3.
What are the key properties of 6-methoxy-2-propylsulfonylpyridin-3-amine?
6-methoxy-2-propylsulfonylpyridin-3-amine has a molecular weight of 230.29 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-propylsulfonylpyridin-3-amine is sourced from PubChem (CID 115321328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).