2-ethyl-1-thia-4,8-diazaspiro[4.5]decane

C9H18N2S — CID 167067647

IUPAC2-ethyl-1-thia-4,8-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCNCC2)S1
InChIInChI=1S/C9H18N2S/c1-2-8-7-11-9(12-8)3-5-10-6-4-9/h8,10-11H,2-7H2,1H3
InChIKeyZWYUKSGLACIWJA-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.18
Rot. Bonds1

About 2-ethyl-1-thia-4,8-diazaspiro[4.5]decane

2-ethyl-1-thia-4,8-diazaspiro[4.5]decane (PubChem CID 167067647) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-ethyl-1-thia-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-ethyl-1-thia-4,8-diazaspiro[4.5]decane
PubChem CID167067647
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name2-ethyl-1-thia-4,8-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCNCC2)S1
InChIInChI=1S/C9H18N2S/c1-2-8-7-11-9(12-8)3-5-10-6-4-9/h8,10-11H,2-7H2,1H3
InChIKeyZWYUKSGLACIWJA-UHFFFAOYSA-N
XLogP1.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-thia-4,8-diazaspiro[4.5]decane?
The IUPAC name of 2-ethyl-1-thia-4,8-diazaspiro[4.5]decane (CID 167067647) is 2-ethyl-1-thia-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-ethyl-1-thia-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-ethyl-1-thia-4,8-diazaspiro[4.5]decane is CCC1CNC2(CCNCC2)S1.
What is the InChIKey of 2-ethyl-1-thia-4,8-diazaspiro[4.5]decane?
The InChIKey is ZWYUKSGLACIWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-8-7-11-9(12-8)3-5-10-6-4-9/h8,10-11H,2-7H2,1H3.
What are the key properties of 2-ethyl-1-thia-4,8-diazaspiro[4.5]decane?
2-ethyl-1-thia-4,8-diazaspiro[4.5]decane has a molecular weight of 186.32 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-thia-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 167067647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).