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

C14H18N2O3S — CID 7527006

IUPACN-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C14H18N2O3S/c1-2-20(18,19)15-12-8-10-4-3-7-16-13(17)6-5-11(9-12)14(10)16/h8-9,15H,2-7H2,1H3
InChIKeyIWOLAUDYXGEQIN-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.67
Rot. Bonds3

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

N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethanesulfonamide (PubChem CID 7527006) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethanesulfonamide
PubChem CID7527006
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C14H18N2O3S/c1-2-20(18,19)15-12-8-10-4-3-7-16-13(17)6-5-11(9-12)14(10)16/h8-9,15H,2-7H2,1H3
InChIKeyIWOLAUDYXGEQIN-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.67
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)ethanesulfonamide?
The IUPAC name of N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethanesulfonamide (CID 7527006) is N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethanesulfonamide.
What is the SMILES notation for N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethanesulfonamide?
The canonical SMILES for N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethanesulfonamide is CCS(=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)ethanesulfonamide?
The InChIKey is IWOLAUDYXGEQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-2-20(18,19)15-12-8-10-4-3-7-16-13(17)6-5-11(9-12)14(10)16/h8-9,15H,2-7H2,1H3.
What are the key properties of N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethanesulfonamide?
N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.67, 3 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)ethanesulfonamide is sourced from PubChem (CID 7527006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).