5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide

C15H26N2O5S — CID 141013625

IUPAC5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide
SMILESNS(=O)(=O)N1C2CCCCCCC(=O)CCCC(=O)OCCC21
InChIInChI=1S/C15H26N2O5S/c16-23(20,21)17-13-8-4-2-1-3-6-12(18)7-5-9-15(19)22-11-10-14(13)17/h13-14H,1-11H2,(H2,16,20,21)
InChIKeyXERYLYHWXSCWAJ-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.27
Rot. Bonds1

About 5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide

5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide (PubChem CID 141013625) has the molecular formula C15H26N2O5S and a molecular weight of 346.45 g/mol. Its IUPAC name is 5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide.

Molecular Properties

Compound Name5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide
PubChem CID141013625
Molecular FormulaC15H26N2O5S
Molecular Weight346.45 g/mol
Exact Mass346.16
IUPAC Name5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide
SMILESNS(=O)(=O)N1C2CCCCCCC(=O)CCCC(=O)OCCC21
InChIInChI=1S/C15H26N2O5S/c16-23(20,21)17-13-8-4-2-1-3-6-12(18)7-5-9-15(19)22-11-10-14(13)17/h13-14H,1-11H2,(H2,16,20,21)
InChIKeyXERYLYHWXSCWAJ-UHFFFAOYSA-N
XLogP1.27
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-oxabicyclo[14.1.0]heptadecane-5,9-dione
CID 141013628
1,6-dioxacyclotridecane-7,13-dione
CID 70450916
1,11-dioxacycloicosane-2,12-dione
CID 15642894
1,8-dioxacyclopentadecane-2,7-dione
CID 172688052
cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one
CID 175759796
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone
CID 12581605
14-propan-2-yl-oxacyclohexadecan-2-one
CID 123475189
11,25,39-trimethyl-1,15,29-trioxacyclodotetracontane-2,16,30-trione
CID 18738133
cyclohexanecarboxylic acid;oxepan-2-one
CID 174966335
9-methyl-1,8-dioxacyclohexadecane-2,7-dione
CID 67348621
1,8,17-trioxacyclopentacosane-2,7-dione
CID 150130718

Frequently Asked Questions

What is the IUPAC name of 5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide?
The IUPAC name of 5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide (CID 141013625) is 5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide.
What is the SMILES notation for 5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide?
The canonical SMILES for 5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide is NS(=O)(=O)N1C2CCCCCCC(=O)CCCC(=O)OCCC21.
What is the InChIKey of 5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide?
The InChIKey is XERYLYHWXSCWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5S/c16-23(20,21)17-13-8-4-2-1-3-6-12(18)7-5-9-15(19)22-11-10-14(13)17/h13-14H,1-11H2,(H2,16,20,21).
What are the key properties of 5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide?
5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide has a molecular weight of 346.45 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dioxo-4-oxa-17-azabicyclo[14.1.0]heptadecane-17-sulfonamide is sourced from PubChem (CID 141013625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).