3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide

C13H24N2O2S — CID 64925182

IUPAC3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCNC3(CCCCC3)C2)C1
InChIInChI=1S/C13H24N2O2S/c16-18(17)9-4-12(10-18)15-8-7-14-13(11-15)5-2-1-3-6-13/h12,14H,1-11H2
InChIKeyAJLZWVABNYFGHP-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.78
Rot. Bonds1

About 3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide

3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide (PubChem CID 64925182) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide
PubChem CID64925182
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCNC3(CCCCC3)C2)C1
InChIInChI=1S/C13H24N2O2S/c16-18(17)9-4-12(10-18)15-8-7-14-13(11-15)5-2-1-3-6-13/h12,14H,1-11H2
InChIKeyAJLZWVABNYFGHP-UHFFFAOYSA-N
XLogP0.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cycloheptyl-1,4-diazaspiro[5.5]undecane
CID 64923858
3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide
CID 117028699
4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane
CID 103892749
4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane
CID 64833070
3-(3,3-difluoropyrrolidin-1-yl)thiolane 1,1-dioxide
CID 117007587
3-(3,3-dimethyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 64951788
3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide
CID 102849442
8-(oxetan-3-yl)-5,8-diazaspiro[3.5]nonane
CID 166543631
10-(1-methylpiperidin-4-yl)-6,10-diazaspiro[4.6]undecane
CID 64943929
4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane
CID 83038956
3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide
CID 64939489
3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 66203857

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide (CID 64925182) is 3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(N2CCNC3(CCCCC3)C2)C1.
What is the InChIKey of 3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide?
The InChIKey is AJLZWVABNYFGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c16-18(17)9-4-12(10-18)15-8-7-14-13(11-15)5-2-1-3-6-13/h12,14H,1-11H2.
What are the key properties of 3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide?
3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide has a molecular weight of 272.41 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 64925182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).