N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide

C12H14N4O3S — CID 114614884

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2C(N)C3CCOC32)cn1
InChIInChI=1S/C12H14N4O3S/c13-5-7-1-2-8(6-15-7)20(17,18)16-11-10(14)9-3-4-19-12(9)11/h1-2,6,9-12,16H,3-4,14H2
InChIKeyLEEPNOBUJDJGAU-UHFFFAOYSA-N
MW294.34 g/mol
LogP-0.65
Rot. Bonds3

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide (PubChem CID 114614884) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide
PubChem CID114614884
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2C(N)C3CCOC32)cn1
InChIInChI=1S/C12H14N4O3S/c13-5-7-1-2-8(6-15-7)20(17,18)16-11-10(14)9-3-4-19-12(9)11/h1-2,6,9-12,16H,3-4,14H2
InChIKeyLEEPNOBUJDJGAU-UHFFFAOYSA-N
XLogP-0.65
TPSA118.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide (CID 114614884) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)NC2C(N)C3CCOC32)cn1.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide?
The InChIKey is LEEPNOBUJDJGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c13-5-7-1-2-8(6-15-7)20(17,18)16-11-10(14)9-3-4-19-12(9)11/h1-2,6,9-12,16H,3-4,14H2.
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide has a molecular weight of 294.34 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 114614884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).