(4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide

C6H11NO2S — CID 124509901

IUPAC(4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide
SMILESO=S1(=O)CC[C@@]2(CCN2)C1
InChIInChI=1S/C6H11NO2S/c8-10(9)4-2-6(5-10)1-3-7-6/h7H,1-5H2/t6-/m0/s1
InChIKeySGZORFSHPUFKAH-LURJTMIESA-N
MW161.23 g/mol
LogP-0.46
Rot. Bonds

About (4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide

(4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide (PubChem CID 124509901) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is (4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide.

Molecular Properties

Compound Name(4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide
PubChem CID124509901
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name(4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide
SMILESO=S1(=O)CC[C@@]2(CCN2)C1
InChIInChI=1S/C6H11NO2S/c8-10(9)4-2-6(5-10)1-3-7-6/h7H,1-5H2/t6-/m0/s1
InChIKeySGZORFSHPUFKAH-LURJTMIESA-N
XLogP-0.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-7λ6-thia-1-azaspiro[3.4]octane 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

(4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide
CID 124509913
8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide;hydrochloride
CID 138040668
(6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide
CID 124505621
9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide
CID 115025157
9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride
CID 115047183
7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one
CID 115017831
4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide
CID 115034951
8,8-dioxo-8λ6-thia-1-azaspiro[3.5]nonan-2-one
CID 64665977
(3R)-3-methyl-1,1-dioxothiolan-3-ol
CID 95023797
3-ethyl-1,1-dioxothiolan-3-ol
CID 63162812
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium
CID 7059068
(4S)-1,7-diazaspiro[3.4]octane
CID 97135321

Frequently Asked Questions

What is the IUPAC name of (4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide?
The IUPAC name of (4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide (CID 124509901) is (4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide.
What is the SMILES notation for (4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide?
The canonical SMILES for (4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide is O=S1(=O)CC[C@@]2(CCN2)C1.
What is the InChIKey of (4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide?
The InChIKey is SGZORFSHPUFKAH-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO2S/c8-10(9)4-2-6(5-10)1-3-7-6/h7H,1-5H2/t6-/m0/s1.
What are the key properties of (4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide?
(4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide has a molecular weight of 161.23 g/mol, XLogP of -0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide is sourced from PubChem (CID 124509901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).