4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane

C13H24N2S — CID 103892749

IUPAC4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane
SMILESC1CCC2(CC1)CN(C1CCSC1)CCN2
InChIInChI=1S/C13H24N2S/c1-2-5-13(6-3-1)11-15(8-7-14-13)12-4-9-16-10-12/h12,14H,1-11H2
InChIKeyKOYUWGJAIIEAOK-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.10
Rot. Bonds1

About 4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane

4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane (PubChem CID 103892749) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane
PubChem CID103892749
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane
SMILESC1CCC2(CC1)CN(C1CCSC1)CCN2
InChIInChI=1S/C13H24N2S/c1-2-5-13(6-3-1)11-15(8-7-14-13)12-4-9-16-10-12/h12,14H,1-11H2
InChIKeyKOYUWGJAIIEAOK-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cycloheptyl-1,4-diazaspiro[5.5]undecane
CID 64923858
3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide
CID 64925182
8-(oxetan-3-yl)-5,8-diazaspiro[3.5]nonane
CID 166543631
4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane
CID 83038956
4-(3-methoxycyclohexyl)-1,4-diazaspiro[5.5]undecane
CID 64833070
1-[(3R)-thiolan-3-yl]-1,4-diazepane
CID 93464550
10-(1-methylpiperidin-4-yl)-6,10-diazaspiro[4.6]undecane
CID 64943929
4,4-difluoro-1-(thiolan-3-yl)piperidine
CID 121184636
3-methyl-1-(thiolan-3-yl)piperazine
CID 65417235
11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane
CID 83039971
11-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-7,11-diazaspiro[5.6]dodecane
CID 64945031
4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazaspiro[5.5]undecane
CID 64952967

Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane (CID 103892749) is 4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane is C1CCC2(CC1)CN(C1CCSC1)CCN2.
What is the InChIKey of 4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is KOYUWGJAIIEAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-2-5-13(6-3-1)11-15(8-7-14-13)12-4-9-16-10-12/h12,14H,1-11H2.
What are the key properties of 4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane?
4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 240.42 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-3-yl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 103892749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).