2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide

C12H17N3O3S — CID 80720100

IUPAC2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NC2CC3CCC2O3)ccn1
InChIInChI=1S/C12H17N3O3S/c1-13-12-7-9(4-5-14-12)19(16,17)15-10-6-8-2-3-11(10)18-8/h4-5,7-8,10-11,15H,2-3,6H2,1H3,(H,13,14)
InChIKeyBBHXCLBXXRGQEC-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.72
Rot. Bonds4

About 2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide

2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide (PubChem CID 80720100) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide
PubChem CID80720100
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NC2CC3CCC2O3)ccn1
InChIInChI=1S/C12H17N3O3S/c1-13-12-7-9(4-5-14-12)19(16,17)15-10-6-8-2-3-11(10)18-8/h4-5,7-8,10-11,15H,2-3,6H2,1H3,(H,13,14)
InChIKeyBBHXCLBXXRGQEC-UHFFFAOYSA-N
XLogP0.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide (CID 80720100) is 2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)NC2CC3CCC2O3)ccn1.
What is the InChIKey of 2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide?
The InChIKey is BBHXCLBXXRGQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-13-12-7-9(4-5-14-12)19(16,17)15-10-6-8-2-3-11(10)18-8/h4-5,7-8,10-11,15H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide?
2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide is sourced from PubChem (CID 80720100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).