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

C7H14N2S — CID 22467178

IUPAC1-thia-4,8-diazaspiro[4.5]decane
SMILESC1CC2(CCN1)NCCS2
InChIInChI=1S/C7H14N2S/c1-3-8-4-2-7(1)9-5-6-10-7/h8-9H,1-6H2
InChIKeyGIIKVRLLDPVVMC-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.40
Rot. Bonds

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

1-thia-4,8-diazaspiro[4.5]decane (PubChem CID 22467178) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-thia-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-thia-4,8-diazaspiro[4.5]decane
PubChem CID22467178
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name1-thia-4,8-diazaspiro[4.5]decane
SMILESC1CC2(CCN1)NCCS2
InChIInChI=1S/C7H14N2S/c1-3-8-4-2-7(1)9-5-6-10-7/h8-9H,1-6H2
InChIKeyGIIKVRLLDPVVMC-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thia-4,8-diazaspiro[4.5]decane?
The IUPAC name of 1-thia-4,8-diazaspiro[4.5]decane (CID 22467178) is 1-thia-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-thia-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-thia-4,8-diazaspiro[4.5]decane is C1CC2(CCN1)NCCS2.
What is the InChIKey of 1-thia-4,8-diazaspiro[4.5]decane?
The InChIKey is GIIKVRLLDPVVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-3-8-4-2-7(1)9-5-6-10-7/h8-9H,1-6H2.
What are the key properties of 1-thia-4,8-diazaspiro[4.5]decane?
1-thia-4,8-diazaspiro[4.5]decane has a molecular weight of 158.27 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thia-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 22467178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).