7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen

C7H15NO2S — CID 176956794

IUPAC7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen
SMILESO=S1(=O)CCC2(CC1)CNC2.[H][H]
InChIInChI=1S/C7H13NO2S.H2/c9-11(10)3-1-7(2-4-11)5-8-6-7;/h8H,1-6H2;1H
InChIKeyJNYIMYGUTFHOOO-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.03
Rot. Bonds

About 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen

7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen (PubChem CID 176956794) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen.

Molecular Properties

Compound Name7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen
PubChem CID176956794
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen
SMILESO=S1(=O)CCC2(CC1)CNC2.[H][H]
InChIInChI=1S/C7H13NO2S.H2/c9-11(10)3-1-7(2-4-11)5-8-6-7;/h8H,1-6H2;1H
InChIKeyJNYIMYGUTFHOOO-UHFFFAOYSA-N
XLogP0.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7Lambda6-thia-2-azaspiro[3.5]nonane-7,7-dione hydrochloride
CID 138039718
6Lambda6-thia-2-azaspiro[3.4]octane-6,6-dione hydrochloride
CID 154733336
7Lambda6-thia-1-azaspiro(3.5)nonane-7,7-dione hydrochloride
CID 137971675
7-Thia-2-azaspiro[3.5]nonane
CID 72207688
7-Thia-2-aza-spiro[3.5]nonane 7,7-dioxide
CID 72207762
6-Thia-2-azaspiro[3.4]octane 6,6-dioxide
CID 84651272
7-Thia-1-azaspiro[3.5]nonane 7,7-dioxide
CID 65805077
6-Thia-2-azaspiro[3.5]nonane 6,6-dioxide
CID 84655353
Azane;7lambda6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
CID 118160596
7lambda4-Thia-2-azaspiro[3.5]nonane 7-oxide
CID 118185530
4-(Azetidin-3-yl)-1lambda6-thiane-1,1-dione
CID 118188360
1-(3-ethyl-1,1-dioxothietan-3-yl)-N-methylmethanamine
CID 123225030

Frequently Asked Questions

What is the IUPAC name of 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen?
The IUPAC name of 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen (CID 176956794) is 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen.
What is the SMILES notation for 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen?
The canonical SMILES for 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen is O=S1(=O)CCC2(CC1)CNC2.[H][H].
What is the InChIKey of 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen?
The InChIKey is JNYIMYGUTFHOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S.H2/c9-11(10)3-1-7(2-4-11)5-8-6-7;/h8H,1-6H2;1H.
What are the key properties of 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen?
7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen has a molecular weight of 177.27 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;molecular hydrogen is sourced from PubChem (CID 176956794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).