2-thia-5,8-diazaspiro[3.6]decane

C7H14N2S — CID 118209626

IUPAC2-thia-5,8-diazaspiro[3.6]decane
SMILESC1CNC2(CCN1)CSC2
InChIInChI=1S/C7H14N2S/c1-2-8-3-4-9-7(1)5-10-6-7/h8-9H,1-6H2
InChIKeyWEQXVWXDRZXOMI-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.05
Rot. Bonds

About 2-thia-5,8-diazaspiro[3.6]decane

2-thia-5,8-diazaspiro[3.6]decane (PubChem CID 118209626) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-thia-5,8-diazaspiro[3.6]decane.

Molecular Properties

Compound Name2-thia-5,8-diazaspiro[3.6]decane
PubChem CID118209626
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name2-thia-5,8-diazaspiro[3.6]decane
SMILESC1CNC2(CCN1)CSC2
InChIInChI=1S/C7H14N2S/c1-2-8-3-4-9-7(1)5-10-6-7/h8-9H,1-6H2
InChIKeyWEQXVWXDRZXOMI-UHFFFAOYSA-N
XLogP0.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thia-5,8-diazaspiro[3.6]decane?
The IUPAC name of 2-thia-5,8-diazaspiro[3.6]decane (CID 118209626) is 2-thia-5,8-diazaspiro[3.6]decane.
What is the SMILES notation for 2-thia-5,8-diazaspiro[3.6]decane?
The canonical SMILES for 2-thia-5,8-diazaspiro[3.6]decane is C1CNC2(CCN1)CSC2.
What is the InChIKey of 2-thia-5,8-diazaspiro[3.6]decane?
The InChIKey is WEQXVWXDRZXOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-2-8-3-4-9-7(1)5-10-6-7/h8-9H,1-6H2.
What are the key properties of 2-thia-5,8-diazaspiro[3.6]decane?
2-thia-5,8-diazaspiro[3.6]decane has a molecular weight of 158.27 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thia-5,8-diazaspiro[3.6]decane is sourced from PubChem (CID 118209626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).