6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane

C11H23NO2S — CID 156713687

IUPAC6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane
SMILESCCCCS(O)(O)N1CCC2(CCC2)C1
InChIInChI=1S/C11H23NO2S/c1-2-3-9-15(13,14)12-8-7-11(10-12)5-4-6-11/h13-14H,2-10H2,1H3
InChIKeyAJUBBATVSNUXMG-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.33
Rot. Bonds4

About 6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane

6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane (PubChem CID 156713687) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane
PubChem CID156713687
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane
SMILESCCCCS(O)(O)N1CCC2(CCC2)C1
InChIInChI=1S/C11H23NO2S/c1-2-3-9-15(13,14)12-8-7-11(10-12)5-4-6-11/h13-14H,2-10H2,1H3
InChIKeyAJUBBATVSNUXMG-UHFFFAOYSA-N
XLogP3.33
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane?
The IUPAC name of 6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane (CID 156713687) is 6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane.
What is the SMILES notation for 6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane?
The canonical SMILES for 6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane is CCCCS(O)(O)N1CCC2(CCC2)C1.
What is the InChIKey of 6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane?
The InChIKey is AJUBBATVSNUXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-2-3-9-15(13,14)12-8-7-11(10-12)5-4-6-11/h13-14H,2-10H2,1H3.
What are the key properties of 6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane?
6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane has a molecular weight of 233.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane is sourced from PubChem (CID 156713687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).