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

C7H13NO2S — CID 105436280

IUPAC1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
SMILESO=S1(=O)CCCC12CCNC2
InChIInChI=1S/C7H13NO2S/c9-11(10)5-1-2-7(11)3-4-8-6-7/h8H,1-6H2
InChIKeyFDRGMYKYAGTUFB-UHFFFAOYSA-N
MW175.25 g/mol
LogP-0.07
Rot. Bonds

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

1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide (PubChem CID 105436280) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide.

Molecular Properties

Compound Name1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
PubChem CID105436280
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
SMILESO=S1(=O)CCCC12CCNC2
InChIInChI=1S/C7H13NO2S/c9-11(10)5-1-2-7(11)3-4-8-6-7/h8H,1-6H2
InChIKeyFDRGMYKYAGTUFB-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 1λ6-thia-7-azaspiro[4.4]nonane 1,1-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
rac-(3aR,6aR)-hexahydro-2H-1lambda6-thieno[2,3-c]pyrrole-1,1-dione hydrochloride
CID 162624163
(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
7lambda6-Thia-1-azaspiro[4.4]nonane-7,7-dione
CID 115014556
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
3-[2-(Fluoromethylsulfonyl)ethyl]pyrrolidine
CID 84720548
(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

Frequently Asked Questions

What is the IUPAC name of 1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide?
The IUPAC name of 1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide (CID 105436280) is 1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide.
What is the SMILES notation for 1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide?
The canonical SMILES for 1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide is O=S1(=O)CCCC12CCNC2.
What is the InChIKey of 1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide?
The InChIKey is FDRGMYKYAGTUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c9-11(10)5-1-2-7(11)3-4-8-6-7/h8H,1-6H2.
What are the key properties of 1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide?
1λ6-thia-7-azaspiro[4.4]nonane 1,1-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 1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide is sourced from PubChem (CID 105436280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).