(4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide

C7H13NO2S — CID 124509913

IUPAC(4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide
SMILESO=S1(=O)CCC[C@]2(CCN2)C1
InChIInChI=1S/C7H13NO2S/c9-11(10)5-1-2-7(6-11)3-4-8-7/h8H,1-6H2/t7-/m0/s1
InChIKeyMGUOYNKARHDIPK-ZETCQYMHSA-N
MW175.25 g/mol
LogP-0.07
Rot. Bonds

About (4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide

(4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide (PubChem CID 124509913) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is (4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide.

Molecular Properties

Compound Name(4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide
PubChem CID124509913
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name(4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide
SMILESO=S1(=O)CCC[C@]2(CCN2)C1
InChIInChI=1S/C7H13NO2S/c9-11(10)5-1-2-7(6-11)3-4-8-7/h8H,1-6H2/t7-/m0/s1
InChIKeyMGUOYNKARHDIPK-ZETCQYMHSA-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

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Related Compounds

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
(4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide
CID 124509901
8,8-dioxo-8λ6-thia-1-azaspiro[3.5]nonan-2-one
CID 64665977
2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride
CID 155487187
9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide
CID 115025157
3-ethyl-1,1-dioxothian-3-ol
CID 83683380
1-azaspiro[4.5]decane
CID 9092
4-azaspiro[2.5]octane
CID 20522183
1,9-diazaspiro[3.7]undecane
CID 118210185
1,1-dioxo-3-prop-2-enylthian-3-ol
CID 165441258
ethane;9-methyl-1,9-diazaspiro[3.6]decane
CID 170572198

Frequently Asked Questions

What is the IUPAC name of (4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide?
The IUPAC name of (4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide (CID 124509913) is (4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide.
What is the SMILES notation for (4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide?
The canonical SMILES for (4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide is O=S1(=O)CCC[C@]2(CCN2)C1.
What is the InChIKey of (4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide?
The InChIKey is MGUOYNKARHDIPK-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO2S/c9-11(10)5-1-2-7(6-11)3-4-8-7/h8H,1-6H2/t7-/m0/s1.
What are the key properties of (4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide?
(4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-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 (4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide is sourced from PubChem (CID 124509913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).