8-methyl-1-thia-4,8-diazaspiro[4.5]decane

C8H16N2S — CID 50853150

IUPAC8-methyl-1-thia-4,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)NCCS2
InChIInChI=1S/C8H16N2S/c1-10-5-2-8(3-6-10)9-4-7-11-8/h9H,2-7H2,1H3
InChIKeyGOEBBVOXFUDAEC-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.74
Rot. Bonds

About 8-methyl-1-thia-4,8-diazaspiro[4.5]decane

8-methyl-1-thia-4,8-diazaspiro[4.5]decane (PubChem CID 50853150) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 8-methyl-1-thia-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-1-thia-4,8-diazaspiro[4.5]decane
PubChem CID50853150
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name8-methyl-1-thia-4,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)NCCS2
InChIInChI=1S/C8H16N2S/c1-10-5-2-8(3-6-10)9-4-7-11-8/h9H,2-7H2,1H3
InChIKeyGOEBBVOXFUDAEC-UHFFFAOYSA-N
XLogP0.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-thia-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-methyl-1-thia-4,8-diazaspiro[4.5]decane (CID 50853150) is 8-methyl-1-thia-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-1-thia-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-methyl-1-thia-4,8-diazaspiro[4.5]decane is CN1CCC2(CC1)NCCS2.
What is the InChIKey of 8-methyl-1-thia-4,8-diazaspiro[4.5]decane?
The InChIKey is GOEBBVOXFUDAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-10-5-2-8(3-6-10)9-4-7-11-8/h9H,2-7H2,1H3.
What are the key properties of 8-methyl-1-thia-4,8-diazaspiro[4.5]decane?
8-methyl-1-thia-4,8-diazaspiro[4.5]decane has a molecular weight of 172.30 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-thia-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 50853150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).