6-(oxan-4-ylmethoxy)-5-propan-2-ylpyridine-3-sulfonamide

C14H22N2O4S — CID 67126497

IUPAC6-(oxan-4-ylmethoxy)-5-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)cnc1OCC1CCOCC1
InChIInChI=1S/C14H22N2O4S/c1-10(2)13-7-12(21(15,17)18)8-16-14(13)20-9-11-3-5-19-6-4-11/h7-8,10-11H,3-6,9H2,1-2H3,(H2,15,17,18)
InChIKeyFDXNVTVUKCCOKE-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.66
Rot. Bonds5

About 6-(oxan-4-ylmethoxy)-5-propan-2-ylpyridine-3-sulfonamide

6-(oxan-4-ylmethoxy)-5-propan-2-ylpyridine-3-sulfonamide (PubChem CID 67126497) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-(oxan-4-ylmethoxy)-5-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(oxan-4-ylmethoxy)-5-propan-2-ylpyridine-3-sulfonamide
PubChem CID67126497
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name6-(oxan-4-ylmethoxy)-5-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)cnc1OCC1CCOCC1
InChIInChI=1S/C14H22N2O4S/c1-10(2)13-7-12(21(15,17)18)8-16-14(13)20-9-11-3-5-19-6-4-11/h7-8,10-11H,3-6,9H2,1-2H3,(H2,15,17,18)
InChIKeyFDXNVTVUKCCOKE-UHFFFAOYSA-N
XLogP1.66
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-ylmethoxy)-5-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-(oxan-4-ylmethoxy)-5-propan-2-ylpyridine-3-sulfonamide (CID 67126497) is 6-(oxan-4-ylmethoxy)-5-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(oxan-4-ylmethoxy)-5-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-(oxan-4-ylmethoxy)-5-propan-2-ylpyridine-3-sulfonamide is CC(C)c1cc(S(N)(=O)=O)cnc1OCC1CCOCC1.
What is the InChIKey of 6-(oxan-4-ylmethoxy)-5-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is FDXNVTVUKCCOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10(2)13-7-12(21(15,17)18)8-16-14(13)20-9-11-3-5-19-6-4-11/h7-8,10-11H,3-6,9H2,1-2H3,(H2,15,17,18).
What are the key properties of 6-(oxan-4-ylmethoxy)-5-propan-2-ylpyridine-3-sulfonamide?
6-(oxan-4-ylmethoxy)-5-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-ylmethoxy)-5-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 67126497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).