N-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

C13H18N4O4S — CID 128702391

IUPACN-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)N2C3CCC2COC3)nc1
InChIInChI=1S/C13H18N4O4S/c1-14-22(19,20)11-4-5-12(15-6-11)16-13(18)17-9-2-3-10(17)8-21-7-9/h4-6,9-10,14H,2-3,7-8H2,1H3,(H,15,16,18)
InChIKeyDGNUVSXGQSEJGN-UHFFFAOYSA-N
MW326.38 g/mol
LogP0.38
Rot. Bonds3

About N-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

N-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 128702391) has the molecular formula C13H18N4O4S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID128702391
Molecular FormulaC13H18N4O4S
Molecular Weight326.38 g/mol
Exact Mass326.10
IUPAC NameN-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)N2C3CCC2COC3)nc1
InChIInChI=1S/C13H18N4O4S/c1-14-22(19,20)11-4-5-12(15-6-11)16-13(18)17-9-2-3-10(17)8-21-7-9/h4-6,9-10,14H,2-3,7-8H2,1H3,(H,15,16,18)
InChIKeyDGNUVSXGQSEJGN-UHFFFAOYSA-N
XLogP0.38
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 128702391) is N-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)N2C3CCC2COC3)nc1.
What is the InChIKey of N-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is DGNUVSXGQSEJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S/c1-14-22(19,20)11-4-5-12(15-6-11)16-13(18)17-9-2-3-10(17)8-21-7-9/h4-6,9-10,14H,2-3,7-8H2,1H3,(H,15,16,18).
What are the key properties of N-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methylsulfamoyl)-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 128702391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).