N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propane-1-sulfonamide

C15H19N3O3S — CID 42516910

IUPACN-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cccnc1Oc1ccc(C)nc1
InChIInChI=1S/C15H19N3O3S/c1-3-9-22(19,20)18-10-13-5-4-8-16-15(13)21-14-7-6-12(2)17-11-14/h4-8,11,18H,3,9-10H2,1-2H3
InChIKeyOQQXGUAYKHATSF-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.41
Rot. Bonds7

About N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propane-1-sulfonamide

N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propane-1-sulfonamide (PubChem CID 42516910) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propane-1-sulfonamide
PubChem CID42516910
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cccnc1Oc1ccc(C)nc1
InChIInChI=1S/C15H19N3O3S/c1-3-9-22(19,20)18-10-13-5-4-8-16-15(13)21-14-7-6-12(2)17-11-14/h4-8,11,18H,3,9-10H2,1-2H3
InChIKeyOQQXGUAYKHATSF-UHFFFAOYSA-N
XLogP2.41
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propane-1-sulfonamide (CID 42516910) is N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1cccnc1Oc1ccc(C)nc1.
What is the InChIKey of N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propane-1-sulfonamide?
The InChIKey is OQQXGUAYKHATSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-3-9-22(19,20)18-10-13-5-4-8-16-15(13)21-14-7-6-12(2)17-11-14/h4-8,11,18H,3,9-10H2,1-2H3.
What are the key properties of N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propane-1-sulfonamide?
N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propane-1-sulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 42516910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).