6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide

C11H18N2O3S — CID 75452721

IUPAC6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide
SMILESCCCN(C)S(=O)(=O)c1ccc(OCC)nc1
InChIInChI=1S/C11H18N2O3S/c1-4-8-13(3)17(14,15)10-6-7-11(12-9-10)16-5-2/h6-7,9H,4-5,8H2,1-3H3
InChIKeyVTKVDVLBUAEJGK-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.51
Rot. Bonds6

About 6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide

6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide (PubChem CID 75452721) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide
PubChem CID75452721
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide
SMILESCCCN(C)S(=O)(=O)c1ccc(OCC)nc1
InChIInChI=1S/C11H18N2O3S/c1-4-8-13(3)17(14,15)10-6-7-11(12-9-10)16-5-2/h6-7,9H,4-5,8H2,1-3H3
InChIKeyVTKVDVLBUAEJGK-UHFFFAOYSA-N
XLogP1.51
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide?
The IUPAC name of 6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide (CID 75452721) is 6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide.
What is the SMILES notation for 6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide?
The canonical SMILES for 6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide is CCCN(C)S(=O)(=O)c1ccc(OCC)nc1.
What is the InChIKey of 6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide?
The InChIKey is VTKVDVLBUAEJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-4-8-13(3)17(14,15)10-6-7-11(12-9-10)16-5-2/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide?
6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-methyl-N-propylpyridine-3-sulfonamide is sourced from PubChem (CID 75452721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).