2-thia-8-azaspiro[4.5]dec-3-ene

C8H13NS — CID 146542253

IUPAC2-thia-8-azaspiro[4.5]dec-3-ene
SMILESC1=CC2(CCNCC2)CS1
InChIInChI=1S/C8H13NS/c1-4-9-5-2-8(1)3-6-10-7-8/h3,6,9H,1-2,4-5,7H2
InChIKeyWBONXAIICCGGRU-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.62
Rot. Bonds

About 2-thia-8-azaspiro[4.5]dec-3-ene

2-thia-8-azaspiro[4.5]dec-3-ene (PubChem CID 146542253) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-thia-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name2-thia-8-azaspiro[4.5]dec-3-ene
PubChem CID146542253
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-thia-8-azaspiro[4.5]dec-3-ene
SMILESC1=CC2(CCNCC2)CS1
InChIInChI=1S/C8H13NS/c1-4-9-5-2-8(1)3-6-10-7-8/h3,6,9H,1-2,4-5,7H2
InChIKeyWBONXAIICCGGRU-UHFFFAOYSA-N
XLogP1.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-thia-8-azaspiro[4.5]dec-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3a,4,5,6,7,7a-Hexahydrothieno[3,2-c]pyridine
CID 56630135
3a,4,5,6,7,7a-Hexahydrothieno[2,3-c]pyridine
CID 68760939
4-(2,3-Dihydrothiophen-2-yl)piperidine
CID 89344852
4-(2,3-Dihydrothiophen-3-yl)piperidine
CID 142892711
2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine
CID 102640708
2-ethenyl-2-methyl-5-methylsulfanyl-N-propylpentan-1-amine
CID 102640872
4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene
CID 142015386

Frequently Asked Questions

What is the IUPAC name of 2-thia-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 2-thia-8-azaspiro[4.5]dec-3-ene (CID 146542253) is 2-thia-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 2-thia-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 2-thia-8-azaspiro[4.5]dec-3-ene is C1=CC2(CCNCC2)CS1.
What is the InChIKey of 2-thia-8-azaspiro[4.5]dec-3-ene?
The InChIKey is WBONXAIICCGGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-4-9-5-2-8(1)3-6-10-7-8/h3,6,9H,1-2,4-5,7H2.
What are the key properties of 2-thia-8-azaspiro[4.5]dec-3-ene?
2-thia-8-azaspiro[4.5]dec-3-ene has a molecular weight of 155.27 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thia-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 146542253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).