2-(oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide

C12H17N3O5S — CID 67169011

IUPAC2-(oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide
SMILESNC(=O)c1cc(S(N)(=O)=O)cnc1OCC1CCOCC1
InChIInChI=1S/C12H17N3O5S/c13-11(16)10-5-9(21(14,17)18)6-15-12(10)20-7-8-1-3-19-4-2-8/h5-6,8H,1-4,7H2,(H2,13,16)(H2,14,17,18)
InChIKeyGEKYYNYTYKHOCQ-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.37
Rot. Bonds5

About 2-(oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide

2-(oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide (PubChem CID 67169011) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-(oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide
PubChem CID67169011
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name2-(oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide
SMILESNC(=O)c1cc(S(N)(=O)=O)cnc1OCC1CCOCC1
InChIInChI=1S/C12H17N3O5S/c13-11(16)10-5-9(21(14,17)18)6-15-12(10)20-7-8-1-3-19-4-2-8/h5-6,8H,1-4,7H2,(H2,13,16)(H2,14,17,18)
InChIKeyGEKYYNYTYKHOCQ-UHFFFAOYSA-N
XLogP-0.37
TPSA134.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide?
The IUPAC name of 2-(oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide (CID 67169011) is 2-(oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide.
What is the SMILES notation for 2-(oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide?
The canonical SMILES for 2-(oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide is NC(=O)c1cc(S(N)(=O)=O)cnc1OCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide?
The InChIKey is GEKYYNYTYKHOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c13-11(16)10-5-9(21(14,17)18)6-15-12(10)20-7-8-1-3-19-4-2-8/h5-6,8H,1-4,7H2,(H2,13,16)(H2,14,17,18).
What are the key properties of 2-(oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide?
2-(oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide has a molecular weight of 315.35 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethoxy)-5-sulfamoylpyridine-3-carboxamide is sourced from PubChem (CID 67169011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).