8-thia-1,4-diazaspiro[5.5]undecane

C8H16N2S — CID 82411745

IUPAC8-thia-1,4-diazaspiro[5.5]undecane
SMILESC1CSCC2(C1)CNCCN2
InChIInChI=1S/C8H16N2S/c1-2-8(7-11-5-1)6-9-3-4-10-8/h9-10H,1-7H2
InChIKeyLVKZUDWRXNSVEV-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.44
Rot. Bonds

About 8-thia-1,4-diazaspiro[5.5]undecane

8-thia-1,4-diazaspiro[5.5]undecane (PubChem CID 82411745) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 8-thia-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-thia-1,4-diazaspiro[5.5]undecane
PubChem CID82411745
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name8-thia-1,4-diazaspiro[5.5]undecane
SMILESC1CSCC2(C1)CNCCN2
InChIInChI=1S/C8H16N2S/c1-2-8(7-11-5-1)6-9-3-4-10-8/h9-10H,1-7H2
InChIKeyLVKZUDWRXNSVEV-UHFFFAOYSA-N
XLogP0.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-Thia-1,4-diazaspiro[5.5]undecane
CID 82411744
3-Aminomethyl-2-methyl-3-athyl-thiomorpholin
CID 110192120
[3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thian-3-yl]methanamine
CID 62870955
4-Fluoro-9-thia-1-azaspiro[5.5]undecane
CID 115017931
5-Fluoro-9-thia-1-azaspiro[5.5]undecane
CID 115017932
3-(Fluoromethyl)-1-(thian-4-yl)piperidin-3-amine
CID 115039143
3-(Difluoromethyl)-1-(thian-4-yl)piperidin-3-amine
CID 115046720
1-(Thian-3-ylmethyl)-2-(trifluoromethyl)piperazine
CID 115101307
3-(aminomethyl)-N-(2,2-difluoroethyl)thian-3-amine
CID 115406305
3-(Piperidinomethyl)thiomorpholine
CID 18915121
(3R)-3-(piperidin-1-ylmethyl)thiomorpholine
CID 53863420
1-Thia-4,8-diazaspiro[5.5]undecane
CID 57764663

Frequently Asked Questions

What is the IUPAC name of 8-thia-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 8-thia-1,4-diazaspiro[5.5]undecane (CID 82411745) is 8-thia-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-thia-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 8-thia-1,4-diazaspiro[5.5]undecane is C1CSCC2(C1)CNCCN2.
What is the InChIKey of 8-thia-1,4-diazaspiro[5.5]undecane?
The InChIKey is LVKZUDWRXNSVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-2-8(7-11-5-1)6-9-3-4-10-8/h9-10H,1-7H2.
What are the key properties of 8-thia-1,4-diazaspiro[5.5]undecane?
8-thia-1,4-diazaspiro[5.5]undecane has a molecular weight of 172.30 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-thia-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 82411745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).