11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

C14H16N2O3S — CID 7526357

IUPAC11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESC=CCNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C14H16N2O3S/c1-2-6-15-20(18,19)12-8-10-3-4-13(17)16-7-5-11(9-12)14(10)16/h2,8-9,15H,1,3-7H2
InChIKeyIZGIYHSNYDLMGQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.99
Rot. Bonds4

About 11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 7526357) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

Compound Name11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
PubChem CID7526357
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESC=CCNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C14H16N2O3S/c1-2-6-15-20(18,19)12-8-10-3-4-13(17)16-7-5-11(9-12)14(10)16/h2,8-9,15H,1,3-7H2
InChIKeyIZGIYHSNYDLMGQ-UHFFFAOYSA-N
XLogP0.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The IUPAC name of 11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 7526357) is 11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
What is the SMILES notation for 11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The canonical SMILES for 11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is C=CCNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2.
What is the InChIKey of 11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The InChIKey is IZGIYHSNYDLMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-6-15-20(18,19)12-8-10-3-4-13(17)16-7-5-11(9-12)14(10)16/h2,8-9,15H,1,3-7H2.
What are the key properties of 11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 7526357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).