7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide

C7H13NO2S — CID 115014556

IUPAC7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide
SMILESO=S1(=O)CCC2(CCCN2)C1
InChIInChI=1S/C7H13NO2S/c9-11(10)5-3-7(6-11)2-1-4-8-7/h8H,1-6H2
InChIKeyGWWCFIVMDNTFAE-UHFFFAOYSA-N
MW175.25 g/mol
LogP-0.07
Rot. Bonds

About 7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide

7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide (PubChem CID 115014556) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide.

Molecular Properties

Compound Name7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide
PubChem CID115014556
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide
SMILESO=S1(=O)CCC2(CCCN2)C1
InChIInChI=1S/C7H13NO2S/c9-11(10)5-3-7(6-11)2-1-4-8-7/h8H,1-6H2
InChIKeyGWWCFIVMDNTFAE-UHFFFAOYSA-N
XLogP-0.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7λ6-thia-1-azaspiro[4.4]nonane 7,7-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

1Lambda6-thia-7-azaspiro(4.4)nonane-1,1-dione hydrochloride
CID 126835881
7Lambda6-thia-1-azaspiro[4.4]nonane-7,7-dione hydrochloride
CID 115027703
(3As,6as)-hexahydro-2h-thieno[2,3-c]pyrrole 1,1-dioxide
CID 25324035
(3aR,6aR)-Hexahydro-2H-thieno[2,3-c]pyrrole 1,1-dioxide
CID 25324033
1Lambda6-thia-7-azaspiro[4.4]nonane-1,1-dione
CID 105436280
6-Thia-1-azaspiro[3.4]octane 6,6-dioxide
CID 65804214
4-(Difluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 71306075
4-(Fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 71306124
(4S,5R)-4-(difluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 97112262
(4S,5R)-4-(fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 97112361
(4S,5S)-4-(fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 97112362
(4R,5R)-4-(fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 97112363

Frequently Asked Questions

What is the IUPAC name of 7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide?
The IUPAC name of 7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide (CID 115014556) is 7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide.
What is the SMILES notation for 7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide?
The canonical SMILES for 7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide is O=S1(=O)CCC2(CCCN2)C1.
What is the InChIKey of 7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide?
The InChIKey is GWWCFIVMDNTFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c9-11(10)5-3-7(6-11)2-1-4-8-7/h8H,1-6H2.
What are the key properties of 7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide?
7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide has a molecular weight of 175.25 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide is sourced from PubChem (CID 115014556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).