7-oxabicyclo[2.2.1]heptane-1-sulfonamide

C6H11NO3S — CID 22164365

IUPAC7-oxabicyclo[2.2.1]heptane-1-sulfonamide
SMILESNS(=O)(=O)C12CCC(CC1)O2
InChIInChI=1S/C6H11NO3S/c7-11(8,9)6-3-1-5(10-6)2-4-6/h5H,1-4H2,(H2,7,8,9)
InChIKeyYEOZTMDGJBVIMO-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.06
Rot. Bonds1

About 7-oxabicyclo[2.2.1]heptane-1-sulfonamide

7-oxabicyclo[2.2.1]heptane-1-sulfonamide (PubChem CID 22164365) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]heptane-1-sulfonamide.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]heptane-1-sulfonamide
PubChem CID22164365
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name7-oxabicyclo[2.2.1]heptane-1-sulfonamide
SMILESNS(=O)(=O)C12CCC(CC1)O2
InChIInChI=1S/C6H11NO3S/c7-11(8,9)6-3-1-5(10-6)2-4-6/h5H,1-4H2,(H2,7,8,9)
InChIKeyYEOZTMDGJBVIMO-UHFFFAOYSA-N
XLogP-0.06
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-oxabicyclo[2.2.1]heptane-1-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

7-Oxabicyclo(2.2.1)heptane-2-sulfonamide
CID 121552643
(1S,2R,4R)-7-Oxabicyclo[2.2.1]heptane-2-sulfonamide
CID 121553212
(1R,2R,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
CID 124709059
(1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
CID 124709060
rac-(1R,2R,4S)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
CID 165895769
CID 178194359
CID 178194359

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[2.2.1]heptane-1-sulfonamide?
The IUPAC name of 7-oxabicyclo[2.2.1]heptane-1-sulfonamide (CID 22164365) is 7-oxabicyclo[2.2.1]heptane-1-sulfonamide.
What is the SMILES notation for 7-oxabicyclo[2.2.1]heptane-1-sulfonamide?
The canonical SMILES for 7-oxabicyclo[2.2.1]heptane-1-sulfonamide is NS(=O)(=O)C12CCC(CC1)O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]heptane-1-sulfonamide?
The InChIKey is YEOZTMDGJBVIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c7-11(8,9)6-3-1-5(10-6)2-4-6/h5H,1-4H2,(H2,7,8,9).
What are the key properties of 7-oxabicyclo[2.2.1]heptane-1-sulfonamide?
7-oxabicyclo[2.2.1]heptane-1-sulfonamide has a molecular weight of 177.22 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]heptane-1-sulfonamide is sourced from PubChem (CID 22164365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).