4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine

C9H11F3N2O2S — CID 106748688

IUPAC4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine
SMILESCCCS(=O)(=O)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C9H11F3N2O2S/c1-2-3-17(15,16)7-4-8(9(10,11)12)14-5-6(7)13/h4-5H,2-3,13H2,1H3
InChIKeyAASASLNHIBXONW-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.87
Rot. Bonds3

About 4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine

4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106748688) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106748688
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine
SMILESCCCS(=O)(=O)c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C9H11F3N2O2S/c1-2-3-17(15,16)7-4-8(9(10,11)12)14-5-6(7)13/h4-5H,2-3,13H2,1H3
InChIKeyAASASLNHIBXONW-UHFFFAOYSA-N
XLogP1.87
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine (CID 106748688) is 4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine is CCCS(=O)(=O)c1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is AASASLNHIBXONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-2-3-17(15,16)7-4-8(9(10,11)12)14-5-6(7)13/h4-5H,2-3,13H2,1H3.
What are the key properties of 4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine?
4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 268.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfonyl-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106748688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).