N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanesulfonamide

C13H16N2O3S — CID 7527001

IUPACN-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C13H16N2O3S/c1-19(17,18)14-11-7-9-3-2-6-15-12(16)5-4-10(8-11)13(9)15/h7-8,14H,2-6H2,1H3
InChIKeyBYLBQVXLZJHVQO-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.28
Rot. Bonds2

About N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanesulfonamide

N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanesulfonamide (PubChem CID 7527001) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanesulfonamide
PubChem CID7527001
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C13H16N2O3S/c1-19(17,18)14-11-7-9-3-2-6-15-12(16)5-4-10(8-11)13(9)15/h7-8,14H,2-6H2,1H3
InChIKeyBYLBQVXLZJHVQO-UHFFFAOYSA-N
XLogP1.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanesulfonamide?
The IUPAC name of N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanesulfonamide (CID 7527001) is N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanesulfonamide.
What is the SMILES notation for N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanesulfonamide?
The canonical SMILES for N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanesulfonamide is CS(=O)(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2.
What is the InChIKey of N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanesulfonamide?
The InChIKey is BYLBQVXLZJHVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-19(17,18)14-11-7-9-3-2-6-15-12(16)5-4-10(8-11)13(9)15/h7-8,14H,2-6H2,1H3.
What are the key properties of N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanesulfonamide?
N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanesulfonamide is sourced from PubChem (CID 7527001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).