N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethanesulfonamide

C13H16N2O3S — CID 7526331

IUPACN-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C13H16N2O3S/c1-2-19(17,18)14-11-7-9-3-4-12(16)15-6-5-10(8-11)13(9)15/h7-8,14H,2-6H2,1H3
InChIKeyRYVDVOZQRTUCLI-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.28
Rot. Bonds3

About N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethanesulfonamide

N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethanesulfonamide (PubChem CID 7526331) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethanesulfonamide
PubChem CID7526331
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C13H16N2O3S/c1-2-19(17,18)14-11-7-9-3-4-12(16)15-6-5-10(8-11)13(9)15/h7-8,14H,2-6H2,1H3
InChIKeyRYVDVOZQRTUCLI-UHFFFAOYSA-N
XLogP1.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethanesulfonamide?
The IUPAC name of N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethanesulfonamide (CID 7526331) is N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethanesulfonamide.
What is the SMILES notation for N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethanesulfonamide?
The canonical SMILES for N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethanesulfonamide is CCS(=O)(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2.
What is the InChIKey of N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethanesulfonamide?
The InChIKey is RYVDVOZQRTUCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-2-19(17,18)14-11-7-9-3-4-12(16)15-6-5-10(8-11)13(9)15/h7-8,14H,2-6H2,1H3.
What are the key properties of N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethanesulfonamide?
N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethanesulfonamide is sourced from PubChem (CID 7526331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).