9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide

C6H11NO3S — CID 167727317

IUPAC9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
SMILESO=S1(=O)CC2CNCC(C1)O2
InChIInChI=1S/C6H11NO3S/c8-11(9)3-5-1-7-2-6(4-11)10-5/h5-7H,1-4H2
InChIKeyLNUVBFAWSJJHCJ-UHFFFAOYSA-N
MW177.22 g/mol
LogP-1.23
Rot. Bonds

About 9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide

9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide (PubChem CID 167727317) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is 9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide.

Molecular Properties

Compound Name9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
PubChem CID167727317
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
SMILESO=S1(=O)CC2CNCC(C1)O2
InChIInChI=1S/C6H11NO3S/c8-11(9)3-5-1-7-2-6(4-11)10-5/h5-7H,1-4H2
InChIKeyLNUVBFAWSJJHCJ-UHFFFAOYSA-N
XLogP-1.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide 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

(1S,3R,7S,9R)-2,8-dioxa-5λ6,11λ6-dithiatricyclo[7.3.0.03,7]dodecane 5,5,11,11-tetraoxide
CID 11871441
6-oxa-3-azabicyclo[3.1.1]heptane;2,2,2-trifluoroacetic acid
CID 155294366
1,2,3,3a,4,6,7,7a-octahydrothiopyrano[3,4-c]pyrrole 5,5-dioxide
CID 105436279
2-methyl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide
CID 60885517
3λ6-thia-6-azabicyclo[3.1.1]heptane 3,3-dioxide;hydrochloride
CID 170907548
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol
CID 66371342
6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride
CID 57424736
2-chloro-2-methylpropane;9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid
CID 162147386
(1R,5S)-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide
CID 11116105
(3S,4S)-1,1-dioxothiolane-3,4-diol
CID 7059048
tert-butyl 9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 18540412
2-(methylamino)-1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone
CID 91159845

Frequently Asked Questions

What is the IUPAC name of 9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The IUPAC name of 9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide (CID 167727317) is 9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide.
What is the SMILES notation for 9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The canonical SMILES for 9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide is O=S1(=O)CC2CNCC(C1)O2.
What is the InChIKey of 9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The InChIKey is LNUVBFAWSJJHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c8-11(9)3-5-1-7-2-6(4-11)10-5/h5-7H,1-4H2.
What are the key properties of 9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide has a molecular weight of 177.22 g/mol, XLogP of -1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide is sourced from PubChem (CID 167727317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).